4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C11H14N4OS — CID 47404826

IUPAC4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H14N4OS/c1-6(2)8-4-9(15-14-8)13-11(16)10-7(3)12-5-17-10/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeyTUEQUBJXUVVCKH-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.55
Rot. Bonds3

About 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47404826) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID47404826
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H14N4OS/c1-6(2)8-4-9(15-14-8)13-11(16)10-7(3)12-5-17-10/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeyTUEQUBJXUVVCKH-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 47404826) is 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is TUEQUBJXUVVCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-6(2)8-4-9(15-14-8)13-11(16)10-7(3)12-5-17-10/h4-6H,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47404826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).