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

C17H18N4OS — CID 97004654

IUPACN-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C[C@H](C)NC(=O)c2csc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C17H18N4OS/c1-11(8-14-9-12(2)20-21-14)18-16(22)15-10-23-17(19-15)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,18,22)(H,20,21)/t11-/m0/s1
InChIKeyWROQHZUMNXRYKU-NSHDSACASA-N
MW326.43 g/mol
LogP3.20
Rot. Bonds5

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

N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 97004654) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID97004654
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C[C@H](C)NC(=O)c2csc(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C17H18N4OS/c1-11(8-14-9-12(2)20-21-14)18-16(22)15-10-23-17(19-15)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,18,22)(H,20,21)/t11-/m0/s1
InChIKeyWROQHZUMNXRYKU-NSHDSACASA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 167991505
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 126432960
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 121498220
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18229378
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72837726
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 97004654) is N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1cc(C[C@H](C)NC(=O)c2csc(-c3ccccc3)n2)n[nH]1.
What is the InChIKey of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is WROQHZUMNXRYKU-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(8-14-9-12(2)20-21-14)18-16(22)15-10-23-17(19-15)13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3,(H,18,22)(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97004654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).