N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 119528766

IUPACN-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCC(N)c2ccccc2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(2)15-18-13(9-20-15)14(19)17-8-12(16)11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,19)
InChIKeyOUJNNFYYIRSMRY-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.70
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 119528766) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID119528766
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NCC(N)c2ccccc2)cs1
InChIInChI=1S/C15H19N3OS/c1-10(2)15-18-13(9-20-15)14(19)17-8-12(16)11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,19)
InChIKeyOUJNNFYYIRSMRY-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-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
N-(2-amino-2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63120256
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129396870
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-(aminomethyl)-N-(2-methoxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 119703923

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 119528766) is N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)NCC(N)c2ccccc2)cs1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OUJNNFYYIRSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)15-18-13(9-20-15)14(19)17-8-12(16)11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-amino-2-phenylethyl)-2-propan-2-yl-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-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119528766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).