1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone

C12H13ClN2OS2 — CID 62750629

IUPAC1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2ccc(Cl)s2)nc1C
InChIInChI=1S/C12H13ClN2OS2/c1-7-11(8(2)16)18-12(14-7)15(3)6-9-4-5-10(13)17-9/h4-5H,6H2,1-3H3
InChIKeyNUJHFJKKWCLHJY-UHFFFAOYSA-N
MW300.84 g/mol
LogP4.01
Rot. Bonds4

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

1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62750629) has the molecular formula C12H13ClN2OS2 and a molecular weight of 300.84 g/mol. Its IUPAC name is 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62750629
Molecular FormulaC12H13ClN2OS2
Molecular Weight300.84 g/mol
Exact Mass300.02
IUPAC Name1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)Cc2ccc(Cl)s2)nc1C
InChIInChI=1S/C12H13ClN2OS2/c1-7-11(8(2)16)18-12(14-7)15(3)6-9-4-5-10(13)17-9/h4-5H,6H2,1-3H3
InChIKeyNUJHFJKKWCLHJY-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone with MolForge

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Related Compounds

1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 55113615
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62751156
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112363
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393645
1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 79858127
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663381
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750312
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
CID 110478273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62750629) is 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)Cc2ccc(Cl)s2)nc1C.
What is the InChIKey of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is NUJHFJKKWCLHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS2/c1-7-11(8(2)16)18-12(14-7)15(3)6-9-4-5-10(13)17-9/h4-5H,6H2,1-3H3.
What are the key properties of 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 300.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).