(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C10H8ClNOS2 — CID 130640569

IUPAC(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)c2ccsc2Cl)s1
InChIInChI=1S/C10H8ClNOS2/c1-5-9(15-6(2)12-5)8(13)7-3-4-14-10(7)11/h3-4H,1-2H3
InChIKeyOHKFSDVCCMOOLB-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.71
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 130640569) has the molecular formula C10H8ClNOS2 and a molecular weight of 257.77 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID130640569
Molecular FormulaC10H8ClNOS2
Molecular Weight257.77 g/mol
Exact Mass256.97
IUPAC Name(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)c2ccsc2Cl)s1
InChIInChI=1S/C10H8ClNOS2/c1-5-9(15-6(2)12-5)8(13)7-3-4-14-10(7)11/h3-4H,1-2H3
InChIKeyOHKFSDVCCMOOLB-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 130624005
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 17392568
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
2,4-dimethyl-1,3-thiazole-5-carboxylic acid;ethane
CID 143933494
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
CID 131048993
2,4-dimethyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 69278427
5-chloro-2,4-dimethyl-1,3-thiazole
CID 20719823
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanone
CID 86715632
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 130698397
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 130640569) is (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)c2ccsc2Cl)s1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is OHKFSDVCCMOOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS2/c1-5-9(15-6(2)12-5)8(13)7-3-4-14-10(7)11/h3-4H,1-2H3.
What are the key properties of (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 257.77 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 130640569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).