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

C9H6ClNOS2 — CID 130624005

IUPAC(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)c2ccsc2Cl)s1
InChIInChI=1S/C9H6ClNOS2/c1-5-11-4-7(14-5)8(12)6-2-3-13-9(6)10/h2-4H,1H3
InChIKeyJSTNHANJKCHVJW-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.40
Rot. Bonds2

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

(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 130624005) has the molecular formula C9H6ClNOS2 and a molecular weight of 243.74 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID130624005
Molecular FormulaC9H6ClNOS2
Molecular Weight243.74 g/mol
Exact Mass242.96
IUPAC Name(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)c2ccsc2Cl)s1
InChIInChI=1S/C9H6ClNOS2/c1-5-11-4-7(14-5)8(12)6-2-3-13-9(6)10/h2-4H,1H3
InChIKeyJSTNHANJKCHVJW-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 130640569
isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone
CID 114031561
(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
CID 131048993
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
(3-amino-2-pyridinyl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 164657551
(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 130698397
(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96631567
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone
CID 107359425
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110859324
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone (CID 130624005) is (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone is Cc1ncc(C(=O)c2ccsc2Cl)s1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is JSTNHANJKCHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS2/c1-5-11-4-7(14-5)8(12)6-2-3-13-9(6)10/h2-4H,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 243.74 g/mol, XLogP of 3.40, 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-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 130624005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).