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

C12H9ClN2S3 — CID 47027501

IUPAC4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cc2nc(-c3ccc(Cl)s3)cs2)cs1
InChIInChI=1S/C12H9ClN2S3/c1-7-14-8(5-16-7)4-12-15-9(6-17-12)10-2-3-11(13)18-10/h2-3,5-6H,4H2,1H3
InChIKeyYXTVSGPPMLQWPG-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.88
Rot. Bonds3

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

4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole (PubChem CID 47027501) has the molecular formula C12H9ClN2S3 and a molecular weight of 312.87 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
PubChem CID47027501
Molecular FormulaC12H9ClN2S3
Molecular Weight312.87 g/mol
Exact Mass311.96
IUPAC Name4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cc2nc(-c3ccc(Cl)s3)cs2)cs1
InChIInChI=1S/C12H9ClN2S3/c1-7-14-8(5-16-7)4-12-15-9(6-17-12)10-2-3-11(13)18-10/h2-3,5-6H,4H2,1H3
InChIKeyYXTVSGPPMLQWPG-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

4-(5-Chlorothiophen-2-yl)-2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazole hydrobromide
CID 2809433
4-(5-Chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370271
2,4-Dithiophen-2-ylthiazole
CID 2546578
4-(Chloromethyl)-2-(thiophen-2-yl)-1,3-thiazole
CID 736496
acs.jmedchem.1c00409_ST.589
CID 162533870
4-[4-[4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole
CID 2809430
4-(5-Chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole bromide
CID 44415172
4-(2,5-Dichlorothiophen-3-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 46855330
4-[(4-Chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 2740511
3-(2-Thienyl)-2-[4-(2-thienyl)-1,3-thiazol-2-yl]acrylonitrile
CID 5719260
2-Methyl-4-(2-thienyl)-1,3-thiazole
CID 735733
4-Tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
CID 2741012

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole (CID 47027501) is 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole is Cc1nc(Cc2nc(-c3ccc(Cl)s3)cs2)cs1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is YXTVSGPPMLQWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S3/c1-7-14-8(5-16-7)4-12-15-9(6-17-12)10-2-3-11(13)18-10/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 312.87 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 47027501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).