2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole

C8H7ClN2S3 — CID 79764244

IUPAC2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1csc(SCc2cnc(Cl)s2)n1
InChIInChI=1S/C8H7ClN2S3/c1-5-3-12-8(11-5)13-4-6-2-10-7(9)14-6/h2-3H,4H2,1H3
InChIKeyJFQPHQYLBLFMOZ-UHFFFAOYSA-N
MW262.81 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole

2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 79764244) has the molecular formula C8H7ClN2S3 and a molecular weight of 262.81 g/mol. Its IUPAC name is 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID79764244
Molecular FormulaC8H7ClN2S3
Molecular Weight262.81 g/mol
Exact Mass261.95
IUPAC Name2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1csc(SCc2cnc(Cl)s2)n1
InChIInChI=1S/C8H7ClN2S3/c1-5-3-12-8(11-5)13-4-6-2-10-7(9)14-6/h2-3H,4H2,1H3
InChIKeyJFQPHQYLBLFMOZ-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole (CID 79764244) is 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole is Cc1csc(SCc2cnc(Cl)s2)n1.
What is the InChIKey of 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is JFQPHQYLBLFMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S3/c1-5-3-12-8(11-5)13-4-6-2-10-7(9)14-6/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole?
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 262.81 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 79764244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).