(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone

C9H7NO2S2 — CID 131204212

IUPAC(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESCOc1csc(C(=O)c2cscn2)c1
InChIInChI=1S/C9H7NO2S2/c1-12-6-2-8(14-3-6)9(11)7-4-13-5-10-7/h2-5H,1H3
InChIKeyIISSMMDPBYHEKK-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.44
Rot. Bonds3

About (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone

(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 131204212) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID131204212
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone
SMILESCOc1csc(C(=O)c2cscn2)c1
InChIInChI=1S/C9H7NO2S2/c1-12-6-2-8(14-3-6)9(11)7-4-13-5-10-7/h2-5H,1H3
InChIKeyIISSMMDPBYHEKK-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
2-(4-methoxythiophen-2-yl)-2-oxoacetaldehyde
CID 139828068
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
CID 115801115
(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
CID 78923588
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133

Frequently Asked Questions

What is the IUPAC name of (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone (CID 131204212) is (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone is COc1csc(C(=O)c2cscn2)c1.
What is the InChIKey of (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is IISSMMDPBYHEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-12-6-2-8(14-3-6)9(11)7-4-13-5-10-7/h2-5H,1H3.
What are the key properties of (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone?
(4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythiophen-2-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131204212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).