N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide

C12H12N4OS — CID 146104676

IUPACN-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1csc(-c2ccn(C)n2)n1
InChIInChI=1S/C12H12N4OS/c1-3-4-11(17)13-7-9-8-18-12(14-9)10-5-6-16(2)15-10/h5-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyKBQQQUOIOKHSPR-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.18
Rot. Bonds3

About N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide

N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide (PubChem CID 146104676) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide
PubChem CID146104676
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCc1csc(-c2ccn(C)n2)n1
InChIInChI=1S/C12H12N4OS/c1-3-4-11(17)13-7-9-8-18-12(14-9)10-5-6-16(2)15-10/h5-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyKBQQQUOIOKHSPR-UHFFFAOYSA-N
XLogP1.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 139017319
5-tert-butyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole-2-carboxamide
CID 146144555
[4-fluoro-3-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methylcarbamoyl]phenyl]boronic acid
CID 139015836
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65198190
N'-methyl-N'-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propane-1,3-diamine
CID 155954047
(3R,4S)-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-4-pyrazol-1-ylpyrrolidin-3-amine
CID 167794833
4-chloro-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]-1H-benzimidazol-2-amine
CID 167920087
2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
CID 125449136
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
2-(1-methylpyrazol-3-yl)-4-[[3-(2,2,2-trifluoroethyl)azetidin-1-yl]methyl]-1,3-thiazole
CID 138053307
1-[(1S)-1-cyclopropylethyl]-3-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]urea
CID 178134749
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide?
The IUPAC name of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide (CID 146104676) is N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide is CC#CC(=O)NCc1csc(-c2ccn(C)n2)n1.
What is the InChIKey of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide?
The InChIKey is KBQQQUOIOKHSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-3-4-11(17)13-7-9-8-18-12(14-9)10-5-6-16(2)15-10/h5-6,8H,7H2,1-2H3,(H,13,17).
What are the key properties of N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide?
N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide has a molecular weight of 260.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]but-2-ynamide is sourced from PubChem (CID 146104676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).