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

C10H12N4OS — CID 43546931

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C10H12N4OS/c1-5-8(6(2)14-13-5)12-10(15)9-7(3)11-4-16-9/h4H,1-3H3,(H,12,15)(H,13,14)
InChIKeyBUPJNYRHTZWZAX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.04
Rot. Bonds2

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 43546931) 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)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID43546931
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C10H12N4OS/c1-5-8(6(2)14-13-5)12-10(15)9-7(3)11-4-16-9/h4H,1-3H3,(H,12,15)(H,13,14)
InChIKeyBUPJNYRHTZWZAX-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.04
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)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 43546931) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BUPJNYRHTZWZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-5-8(6(2)14-13-5)12-10(15)9-7(3)11-4-16-9/h4H,1-3H3,(H,12,15)(H,13,14).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.04, 2 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)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43546931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).