N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C21H23N3OS — CID 68726589

IUPACN-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(CN)CCc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C21H23N3OS/c1-15-23-19(20(26-15)17-10-6-3-7-11-17)21(25)24-18(14-22)13-12-16-8-4-2-5-9-16/h2-11,18H,12-14,22H2,1H3,(H,24,25)
InChIKeyGTRVJKKRZYXTIV-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.81
Rot. Bonds7

About N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 68726589) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID68726589
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(CN)CCc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C21H23N3OS/c1-15-23-19(20(26-15)17-10-6-3-7-11-17)21(25)24-18(14-22)13-12-16-8-4-2-5-9-16/h2-11,18H,12-14,22H2,1H3,(H,24,25)
InChIKeyGTRVJKKRZYXTIV-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
6-methyl-N-[2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25189907
N-[(2S)-1-(1-benzofuran-4-carbonylamino)-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 67449613
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
CID 43854828
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724081
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
2-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 43854628

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 68726589) is N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(CN)CCc2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is GTRVJKKRZYXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-23-19(20(26-15)17-10-6-3-7-11-17)21(25)24-18(14-22)13-12-16-8-4-2-5-9-16/h2-11,18H,12-14,22H2,1H3,(H,24,25).
What are the key properties of N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68726589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).