1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C12H12ClNOS2 — CID 103407837

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(C(=O)Cc2nc(C)c(C)s2)c1Cl
InChIInChI=1S/C12H12ClNOS2/c1-6-5-16-12(11(6)13)9(15)4-10-14-7(2)8(3)17-10/h5H,4H2,1-3H3
InChIKeyUGDJFVSGXPNVFB-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 103407837) has the molecular formula C12H12ClNOS2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID103407837
Molecular FormulaC12H12ClNOS2
Molecular Weight285.82 g/mol
Exact Mass285.00
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(C(=O)Cc2nc(C)c(C)s2)c1Cl
InChIInChI=1S/C12H12ClNOS2/c1-6-5-16-12(11(6)13)9(15)4-10-14-7(2)8(3)17-10/h5H,4H2,1-3H3
InChIKeyUGDJFVSGXPNVFB-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103400121
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 103407449
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198
2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407561
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 103407745
1-(3-chloro-4-methylthiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103407809
1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 103407790

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 103407837) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1csc(C(=O)Cc2nc(C)c(C)s2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is UGDJFVSGXPNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS2/c1-6-5-16-12(11(6)13)9(15)4-10-14-7(2)8(3)17-10/h5H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 285.82 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 103407837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).