N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C17H23N3OS — CID 68724998

IUPACN-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](CN)CC(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C17H23N3OS/c1-11(2)9-14(10-18)20-17(21)15-16(22-12(3)19-15)13-7-5-4-6-8-13/h4-8,11,14H,9-10,18H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyAWKRLFURCKGDEK-AWEZNQCLSA-N
MW317.46 g/mol
LogP3.22
Rot. Bonds6

About N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 68724998) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID68724998
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](CN)CC(C)C)c(-c2ccccc2)s1
InChIInChI=1S/C17H23N3OS/c1-11(2)9-14(10-18)20-17(21)15-16(22-12(3)19-15)13-7-5-4-6-8-13/h4-8,11,14H,9-10,18H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyAWKRLFURCKGDEK-AWEZNQCLSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68726589
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 118917738
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
CID 119586830
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119585769
[4-methyl-2-[methyl-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]pentyl] 1,3-thiazole-5-carboxylate
CID 174597140
2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
CID 43854828

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 68724998) is N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@H](CN)CC(C)C)c(-c2ccccc2)s1.
What is the InChIKey of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is AWKRLFURCKGDEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11(2)9-14(10-18)20-17(21)15-16(22-12(3)19-15)13-7-5-4-6-8-13/h4-8,11,14H,9-10,18H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68724998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).