N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide

C16H21N3OS — CID 119643597

IUPACN-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-16(17,4-2)11-19-14(20)13-10-18-15(21-13)12-8-6-5-7-9-12/h5-10H,3-4,11,17H2,1-2H3,(H,19,20)
InChIKeyVYFOGEQLOOYJOS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.06
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 119643597) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID119643597
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-16(17,4-2)11-19-14(20)13-10-18-15(21-13)12-8-6-5-7-9-12/h5-10H,3-4,11,17H2,1-2H3,(H,19,20)
InChIKeyVYFOGEQLOOYJOS-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55718847
N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119668466
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626129
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 111596080

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 119643597) is N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide is CCC(N)(CC)CNC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is VYFOGEQLOOYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-16(17,4-2)11-19-14(20)13-10-18-15(21-13)12-8-6-5-7-9-12/h5-10H,3-4,11,17H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119643597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).