2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole

C13H13NS3 — CID 79325639

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2CSc3ccccc32)n1
InChIInChI=1S/C13H13NS3/c1-9-6-16-13(14-9)17-8-10-7-15-12-5-3-2-4-11(10)12/h2-6,10H,7-8H2,1H3
InChIKeyBVNNFGYLGINKNI-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.43
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole

2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 79325639) has the molecular formula C13H13NS3 and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID79325639
Molecular FormulaC13H13NS3
Molecular Weight279.45 g/mol
Exact Mass279.02
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2CSc3ccccc32)n1
InChIInChI=1S/C13H13NS3/c1-9-6-16-13(14-9)17-8-10-7-15-12-5-3-2-4-11(10)12/h2-6,10H,7-8H2,1H3
InChIKeyBVNNFGYLGINKNI-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole (CID 79325639) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole is Cc1csc(SCC2CSc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is BVNNFGYLGINKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS3/c1-9-6-16-13(14-9)17-8-10-7-15-12-5-3-2-4-11(10)12/h2-6,10H,7-8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 79325639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).