2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

C10H12N4OS — CID 131904703

IUPAC2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cn[nH]c2)cs1
InChIInChI=1S/C10H12N4OS/c1-7-14-9(6-16-7)10(15)11-3-2-8-4-12-13-5-8/h4-6H,2-3H2,1H3,(H,11,15)(H,12,13)
InChIKeyACFXZOGHLCRYGF-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 131904703) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID131904703
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cn[nH]c2)cs1
InChIInChI=1S/C10H12N4OS/c1-7-14-9(6-16-7)10(15)11-3-2-8-4-12-13-5-8/h4-6H,2-3H2,1H3,(H,11,15)(H,12,13)
InChIKeyACFXZOGHLCRYGF-UHFFFAOYSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide 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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 45830775
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 53624133
1-isopropyl-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-1H-pyrazole-4-carboxamide
CID 70740047
US20240174679, Example 1-40
CID 122638479
US20240174679, Example 1-5
CID 165129994
US20240174679, Example 1-15
CID 165129996
US20240174679, Example 7-2
CID 165129997
US20240174679, Example 7-23
CID 165130055
US20240174679, Example 7-9
CID 165130076
US20240174679, Example 7-18
CID 171600701
N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 177700548
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 177700549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 131904703) is 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCc2cn[nH]c2)cs1.
What is the InChIKey of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ACFXZOGHLCRYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-14-9(6-16-7)10(15)11-3-2-8-4-12-13-5-8/h4-6H,2-3H2,1H3,(H,11,15)(H,12,13).
What are the key properties of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131904703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).