N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

C10H12N4OS — CID 71684185

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cscn1
InChIInChI=1S/C10H12N4OS/c1-6-8(7(2)14-13-6)3-11-10(15)9-4-16-5-12-9/h4-5H,3H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyZGHYERNGYHLMQY-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.41
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71684185) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID71684185
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cscn1
InChIInChI=1S/C10H12N4OS/c1-6-8(7(2)14-13-6)3-11-10(15)9-4-16-5-12-9/h4-5H,3H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyZGHYERNGYHLMQY-UHFFFAOYSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 71684185) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1n[nH]c(C)c1CNC(=O)c1cscn1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZGHYERNGYHLMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-8(7(2)14-13-6)3-11-10(15)9-4-16-5-12-9/h4-5H,3H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71684185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).