3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine

C140H154N14S14 — CID 158387768

IUPAC3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cc2cccnc2s1.CC(C)c1ccc2ccsc2n1.CC(C)c1ccc2cnsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2sncc2c1.CC(C)c1cccc2cnsc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccc2sncc12.CC(C)c1ccnc2sccc12.CC(C)c1cnc2sccc2c1.CC(C)c1csc2ncccc12.CC(C)c1nsc2ccccc12
InChIInChI=1S/14C10H11NS/c1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-12-10(8)11-6-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-4-3-8-5-6-12-10(8)11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)12-11-10/h14*3-7H,1-2H3
InChIKeyGWOMKWLXRRLYEV-UHFFFAOYSA-N
MW2481.81 g/mol
LogP47.88
Rot. Bonds14

About 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine

3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 158387768) has the molecular formula C140H154N14S14 and a molecular weight of 2481.81 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine
PubChem CID158387768
Molecular FormulaC140H154N14S14
Molecular Weight2481.81 g/mol
Exact Mass2478.86
IUPAC Name3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1cc2cccnc2s1.CC(C)c1ccc2ccsc2n1.CC(C)c1ccc2cnsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2sncc2c1.CC(C)c1cccc2cnsc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccc2sncc12.CC(C)c1ccnc2sccc12.CC(C)c1cnc2sccc2c1.CC(C)c1csc2ncccc12.CC(C)c1nsc2ccccc12
InChIInChI=1S/14C10H11NS/c1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-12-10(8)11-6-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-4-3-8-5-6-12-10(8)11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)12-11-10/h14*3-7H,1-2H3
InChIKeyGWOMKWLXRRLYEV-UHFFFAOYSA-N
XLogP47.88
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.81
LogP ≤ 547.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine (CID 158387768) is 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1cc2cccnc2s1.CC(C)c1ccc2ccsc2n1.CC(C)c1ccc2cnsc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccc2sncc2c1.CC(C)c1cccc2cnsc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccc2sncc12.CC(C)c1ccnc2sccc12.CC(C)c1cnc2sccc2c1.CC(C)c1csc2ncccc12.CC(C)c1nsc2ccccc12.
What is the InChIKey of 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is GWOMKWLXRRLYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/14C10H11NS/c1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-12-10(8)11-6-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-4-3-8-5-6-12-10(8)11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)10-8-5-3-4-6-9(8)12-11-10/h14*3-7H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine?
3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 2481.81 g/mol, XLogP of 47.88, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,2-benzothiazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;2-propan-2-ylthieno[2,3-b]pyridine;3-propan-2-ylthieno[2,3-b]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;5-propan-2-ylthieno[2,3-b]pyridine;6-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 158387768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).