N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

C12H15N5O2S3 — CID 19408961

IUPACN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1c(SC)nsc1SC
InChIInChI=1S/C12H15N5O2S3/c1-13-10(19)8-6(5-17(2)15-8)14-9(18)7-11(20-3)16-22-12(7)21-4/h5H,1-4H3,(H,13,19)(H,14,18)
InChIKeyGKSLCEVWXDTCNE-UHFFFAOYSA-N
MW357.49 g/mol
LogP1.93
Rot. Bonds5

About N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (PubChem CID 19408961) has the molecular formula C12H15N5O2S3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
PubChem CID19408961
Molecular FormulaC12H15N5O2S3
Molecular Weight357.49 g/mol
Exact Mass357.04
IUPAC NameN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1c(SC)nsc1SC
InChIInChI=1S/C12H15N5O2S3/c1-13-10(19)8-6(5-17(2)15-8)14-9(18)7-11(20-3)16-22-12(7)21-4/h5H,1-4H3,(H,13,19)(H,14,18)
InChIKeyGKSLCEVWXDTCNE-UHFFFAOYSA-N
XLogP1.93
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
4-[(4-bromothiophene-2-carbonyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 17024416
4-[(4-ethylbenzoyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410625
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl chloride
CID 609419
N,1-dimethyl-4-[[2-(4-methylbenzoyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410634
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19559794
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
CID 19401979
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19270975
N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264717
4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408899
methyl 4-[(2,6-dimethoxybenzoyl)amino]-1-methylpyrazole-3-carboxylate
CID 19341646

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (CID 19408961) is N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1c(SC)nsc1SC.
What is the InChIKey of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The InChIKey is GKSLCEVWXDTCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S3/c1-13-10(19)8-6(5-17(2)15-8)14-9(18)7-11(20-3)16-22-12(7)21-4/h5H,1-4H3,(H,13,19)(H,14,18).
What are the key properties of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide has a molecular weight of 357.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 19408961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).