methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate

C13H19N3O5S2 — CID 55523071

IUPACmethyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)C2CCCN(S(C)(=O)=O)C2)nc1C
InChIInChI=1S/C13H19N3O5S2/c1-8-10(12(18)21-2)22-13(14-8)15-11(17)9-5-4-6-16(7-9)23(3,19)20/h9H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyURHVAWKLXOVPJL-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.85
Rot. Bonds4

About methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 55523071) has the molecular formula C13H19N3O5S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID55523071
Molecular FormulaC13H19N3O5S2
Molecular Weight361.45 g/mol
Exact Mass361.08
IUPAC Namemethyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)C2CCCN(S(C)(=O)=O)C2)nc1C
InChIInChI=1S/C13H19N3O5S2/c1-8-10(12(18)21-2)22-13(14-8)15-11(17)9-5-4-6-16(7-9)23(3,19)20/h9H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyURHVAWKLXOVPJL-UHFFFAOYSA-N
XLogP0.85
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-methyl-2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 55526772
methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55414969
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 39854859
(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 124505189
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
methyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24509343
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829217
ethyl 4-methyl-2-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 16934302
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829248

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 55523071) is methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)C2CCCN(S(C)(=O)=O)C2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is URHVAWKLXOVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S2/c1-8-10(12(18)21-2)22-13(14-8)15-11(17)9-5-4-6-16(7-9)23(3,19)20/h9H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55523071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).