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

C16H24N4OS — CID 56506496

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C16H24N4OS/c1-9(2)7-13-17-10(3)14(22-13)15(21)18-12-8-11(19-20-12)16(4,5)6/h8-9H,7H2,1-6H3,(H2,18,19,20,21)
InChIKeyHCKDHDBRQMCJHS-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.92
Rot. Bonds4

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 56506496) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID56506496
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C16H24N4OS/c1-9(2)7-13-17-10(3)14(22-13)15(21)18-12-8-11(19-20-12)16(4,5)6/h8-9H,7H2,1-6H3,(H2,18,19,20,21)
InChIKeyHCKDHDBRQMCJHS-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 56506496) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)sc1C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HCKDHDBRQMCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-9(2)7-13-17-10(3)14(22-13)15(21)18-12-8-11(19-20-12)16(4,5)6/h8-9H,7H2,1-6H3,(H2,18,19,20,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56506496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).