6-methyl-5-thiophen-2-yl-1,3-benzothiazole

C12H9NS2 — CID 174683286

IUPAC6-methyl-5-thiophen-2-yl-1,3-benzothiazole
SMILESCc1cc2scnc2cc1-c1cccs1
InChIInChI=1S/C12H9NS2/c1-8-5-12-10(13-7-15-12)6-9(8)11-3-2-4-14-11/h2-7H,1H3
InChIKeyCMMCVDCOKIASNT-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.33
Rot. Bonds1

About 6-methyl-5-thiophen-2-yl-1,3-benzothiazole

6-methyl-5-thiophen-2-yl-1,3-benzothiazole (PubChem CID 174683286) has the molecular formula C12H9NS2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-methyl-5-thiophen-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-5-thiophen-2-yl-1,3-benzothiazole
PubChem CID174683286
Molecular FormulaC12H9NS2
Molecular Weight231.34 g/mol
Exact Mass231.02
IUPAC Name6-methyl-5-thiophen-2-yl-1,3-benzothiazole
SMILESCc1cc2scnc2cc1-c1cccs1
InChIInChI=1S/C12H9NS2/c1-8-5-12-10(13-7-15-12)6-9(8)11-3-2-4-14-11/h2-7H,1H3
InChIKeyCMMCVDCOKIASNT-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-thiophen-2-yl-1,3-benzothiazole?
The IUPAC name of 6-methyl-5-thiophen-2-yl-1,3-benzothiazole (CID 174683286) is 6-methyl-5-thiophen-2-yl-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-5-thiophen-2-yl-1,3-benzothiazole?
The canonical SMILES for 6-methyl-5-thiophen-2-yl-1,3-benzothiazole is Cc1cc2scnc2cc1-c1cccs1.
What is the InChIKey of 6-methyl-5-thiophen-2-yl-1,3-benzothiazole?
The InChIKey is CMMCVDCOKIASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS2/c1-8-5-12-10(13-7-15-12)6-9(8)11-3-2-4-14-11/h2-7H,1H3.
What are the key properties of 6-methyl-5-thiophen-2-yl-1,3-benzothiazole?
6-methyl-5-thiophen-2-yl-1,3-benzothiazole has a molecular weight of 231.34 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-thiophen-2-yl-1,3-benzothiazole is sourced from PubChem (CID 174683286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).