N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide

C10H12N4OS — CID 71971446

IUPACN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2cscn2)c1C
InChIInChI=1S/C10H12N4OS/c1-3-7-6(2)9(14-13-7)12-10(15)8-4-16-5-11-8/h4-5H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyXFRXFLQCIIETQC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.99
Rot. Bonds3

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

N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71971446) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID71971446
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2cscn2)c1C
InChIInChI=1S/C10H12N4OS/c1-3-7-6(2)9(14-13-7)12-10(15)8-4-16-5-11-8/h4-5H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyXFRXFLQCIIETQC-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 71971446) is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is CCc1[nH]nc(NC(=O)c2cscn2)c1C.
What is the InChIKey of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XFRXFLQCIIETQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-3-7-6(2)9(14-13-7)12-10(15)8-4-16-5-11-8/h4-5H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71971446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).