1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone

C15H13NOS3 — CID 66647115

IUPAC1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(-c3ccc(C)s3)s2)nc1C
InChIInChI=1S/C15H13NOS3/c1-8-4-5-11(18-8)12-6-7-13(19-12)15-16-9(2)14(20-15)10(3)17/h4-7H,1-3H3
InChIKeyDWZCCEQOVPQZDH-UHFFFAOYSA-N
MW319.48 g/mol
LogP5.42
Rot. Bonds3

About 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone (PubChem CID 66647115) has the molecular formula C15H13NOS3 and a molecular weight of 319.48 g/mol. Its IUPAC name is 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
PubChem CID66647115
Molecular FormulaC15H13NOS3
Molecular Weight319.48 g/mol
Exact Mass319.02
IUPAC Name1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(-c3ccc(C)s3)s2)nc1C
InChIInChI=1S/C15H13NOS3/c1-8-4-5-11(18-8)12-6-7-13(19-12)15-16-9(2)14(20-15)10(3)17/h4-7H,1-3H3
InChIKeyDWZCCEQOVPQZDH-UHFFFAOYSA-N
XLogP5.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 90484191
1-[4-methyl-2-(2-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 114554206
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)phenyl] carbamate
CID 174459301
1-[2-(4-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55181555
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319
ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644689
1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62699422

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone (CID 66647115) is 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2ccc(-c3ccc(C)s3)s2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is DWZCCEQOVPQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS3/c1-8-4-5-11(18-8)12-6-7-13(19-12)15-16-9(2)14(20-15)10(3)17/h4-7H,1-3H3.
What are the key properties of 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 319.48 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 66647115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).