N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

C16H18N4OS2 — CID 2744264

IUPACN-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCCCCNC(=O)n1nccc1-c1sc(-c2cccs2)nc1C
InChIInChI=1S/C16H18N4OS2/c1-3-4-8-17-16(21)20-12(7-9-18-20)14-11(2)19-15(23-14)13-6-5-10-22-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)
InChIKeyKOPBWLPCKOHWKS-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.40
Rot. Bonds5

About N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide

N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (PubChem CID 2744264) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
PubChem CID2744264
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
SMILESCCCCNC(=O)n1nccc1-c1sc(-c2cccs2)nc1C
InChIInChI=1S/C16H18N4OS2/c1-3-4-8-17-16(21)20-12(7-9-18-20)14-11(2)19-15(23-14)13-6-5-10-22-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)
InChIKeyKOPBWLPCKOHWKS-UHFFFAOYSA-N
XLogP4.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-isopropyl-3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazole-1-carboxamide
CID 2805449
1-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53521566
2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53618329
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 71802200
1-[[2-(Methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea
CID 75378064
N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
CID 2739856
Cyclopropyl-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 2744261
N-butyl-3-methylsulfanyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 2744441
N-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)pyrazole-1-carboxamide
CID 2805448
1-((4-Methyl-2-(thiophen-2-yl)thiazol-5-yl)methyl)-3-(thiophen-2-yl)urea
CID 71795439
1-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 71797665
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(phenylthio)propanamide
CID 71802218

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The IUPAC name of N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide (CID 2744264) is N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is CCCCNC(=O)n1nccc1-c1sc(-c2cccs2)nc1C.
What is the InChIKey of N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
The InChIKey is KOPBWLPCKOHWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-3-4-8-17-16(21)20-12(7-9-18-20)14-11(2)19-15(23-14)13-6-5-10-22-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21).
What are the key properties of N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide?
N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 2744264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).