(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone

C9H7NOS2 — CID 91655271

IUPAC(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone
SMILESCc1ccc(C(=O)c2nccs2)s1
InChIInChI=1S/C9H7NOS2/c1-6-2-3-7(13-6)8(11)9-10-4-5-12-9/h2-5H,1H3
InChIKeyUAVVNJWLWZQPRE-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.74
Rot. Bonds2

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

(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone (PubChem CID 91655271) has the molecular formula C9H7NOS2 and a molecular weight of 209.30 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone
PubChem CID91655271
Molecular FormulaC9H7NOS2
Molecular Weight209.30 g/mol
Exact Mass209.00
IUPAC Name(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone
SMILESCc1ccc(C(=O)c2nccs2)s1
InChIInChI=1S/C9H7NOS2/c1-6-2-3-7(13-6)8(11)9-10-4-5-12-9/h2-5H,1H3
InChIKeyUAVVNJWLWZQPRE-UHFFFAOYSA-N
XLogP2.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 569967
2-Thiazolyl-2-thienyl ketone
CID 2760610
2-(4-Fluorobenzoyl)thiazole
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(3-Methylthio-5-fluorophenyl)(thiazol-2-yl)methanone
CID 19426995
5-Fluoro-3-(thiazol-2-ylcarbonyl)thiophenol
CID 19427001
(3-Fluorophenyl)-(3-methylsulfanyl-1,3-thiazol-3-ium-2-yl)methanone
CID 67691732
2-(3-Fluorobenzoyl)thiazole
CID 2758955
2-(2-Fluorobenzoyl)thiazole
CID 83393912
2-[4-(Trifluoromethylthio)benzoyl]thiazole
CID 91655408
1-(3-Fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 130594586
(3-Fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 131165443
2-(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone chloride
CID 9814118

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone (CID 91655271) is (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone is Cc1ccc(C(=O)c2nccs2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is UAVVNJWLWZQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS2/c1-6-2-3-7(13-6)8(11)9-10-4-5-12-9/h2-5H,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone?
(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 209.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91655271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).