2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole

C8H6ClNS2 — CID 59009299

IUPAC2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C8H6ClNS2/c1-5-4-10-8(11-5)6-2-3-7(9)12-6/h2-4H,1H3
InChIKeyYDSVUYXFTRNWEK-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.83
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole

2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole (PubChem CID 59009299) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
PubChem CID59009299
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C8H6ClNS2/c1-5-4-10-8(11-5)6-2-3-7(9)12-6/h2-4H,1H3
InChIKeyYDSVUYXFTRNWEK-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole (CID 59009299) is 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole is Cc1cnc(-c2ccc(Cl)s2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole?
The InChIKey is YDSVUYXFTRNWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c1-5-4-10-8(11-5)6-2-3-7(9)12-6/h2-4H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole?
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole has a molecular weight of 215.73 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 59009299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).