N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 119525591

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cscn2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)11-3-5-12(6-4-11)13(16)7-17-15(19)14-8-20-9-18-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,17,19)
InChIKeyMUIOLZBFBJMWBE-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.70
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 119525591) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID119525591
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cscn2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)11-3-5-12(6-4-11)13(16)7-17-15(19)14-8-20-9-18-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,17,19)
InChIKeyMUIOLZBFBJMWBE-UHFFFAOYSA-N
XLogP2.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 119527283
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119525872
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 119525591) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(C)c1ccc(C(N)CNC(=O)c2cscn2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MUIOLZBFBJMWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)11-3-5-12(6-4-11)13(16)7-17-15(19)14-8-20-9-18-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,17,19).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119525591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).