2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole

C7H5ClN2S2 — CID 58555976

IUPAC2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)cs2)n1
InChIInChI=1S/C7H5ClN2S2/c1-4-2-11-6(9-4)7-10-5(8)3-12-7/h2-3H,1H3
InChIKeyIYOSNJGXEIOTHA-UHFFFAOYSA-N
MW216.72 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole

2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole (PubChem CID 58555976) has the molecular formula C7H5ClN2S2 and a molecular weight of 216.72 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole
PubChem CID58555976
Molecular FormulaC7H5ClN2S2
Molecular Weight216.72 g/mol
Exact Mass215.96
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)cs2)n1
InChIInChI=1S/C7H5ClN2S2/c1-4-2-11-6(9-4)7-10-5(8)3-12-7/h2-3H,1H3
InChIKeyIYOSNJGXEIOTHA-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole (CID 58555976) is 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole is Cc1csc(-c2nc(Cl)cs2)n1.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is IYOSNJGXEIOTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S2/c1-4-2-11-6(9-4)7-10-5(8)3-12-7/h2-3H,1H3.
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole?
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 216.72 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 58555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).