2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide

C16H21N3OS — CID 125439790

IUPAC2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cnc(N)s1
InChIInChI=1S/C16H21N3OS/c1-11(19-14(20)13-10-18-15(17)21-13)9-16(2,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,17,18)(H,19,20)/t11-/m1/s1
InChIKeyPZAFTFPRDAODQP-LLVKDONJSA-N
MW303.43 g/mol
LogP3.21
Rot. Bonds5

About 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide

2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 125439790) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID125439790
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cnc(N)s1
InChIInChI=1S/C16H21N3OS/c1-11(19-14(20)13-10-18-15(17)21-13)9-16(2,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,17,18)(H,19,20)/t11-/m1/s1
InChIKeyPZAFTFPRDAODQP-LLVKDONJSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
2-amino-N-(2-ethylphenyl)-1,3-thiazole-5-carboxamide
CID 141271026
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411
4-amino-3-methoxy-N-(4-methyl-4-phenylpentan-2-yl)butanamide;hydrochloride
CID 120590624

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide (CID 125439790) is 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide is C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PZAFTFPRDAODQP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(19-14(20)13-10-18-15(17)21-13)9-16(2,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide?
2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125439790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).