N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C11H14N4OS — CID 54955820

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C11H14N4OS/c1-5-8(4)17-11(12-5)13-10(16)9-6(2)14-15-7(9)3/h1-4H3,(H,14,15)(H,12,13,16)
InChIKeyRSGVUWXYOQLXIE-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.35
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 54955820) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID54955820
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C11H14N4OS/c1-5-8(4)17-11(12-5)13-10(16)9-6(2)14-15-7(9)3/h1-4H3,(H,14,15)(H,12,13,16)
InChIKeyRSGVUWXYOQLXIE-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 54955820) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1nc(NC(=O)c2c(C)n[nH]c2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is RSGVUWXYOQLXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-5-8(4)17-11(12-5)13-10(16)9-6(2)14-15-7(9)3/h1-4H3,(H,14,15)(H,12,13,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54955820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).