2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide

C15H19N3OS — CID 62489621

IUPAC2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
SMILESCc1ncc(CN(C)C(=O)C(C)(N)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-11-17-9-13(20-11)10-18(3)14(19)15(2,16)12-7-5-4-6-8-12/h4-9H,10,16H2,1-3H3
InChIKeyLGNBSWIESBGLFM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.28
Rot. Bonds4

About 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide

2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide (PubChem CID 62489621) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
PubChem CID62489621
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
SMILESCc1ncc(CN(C)C(=O)C(C)(N)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-11-17-9-13(20-11)10-18(3)14(19)15(2,16)12-7-5-4-6-8-12/h4-9H,10,16H2,1-3H3
InChIKeyLGNBSWIESBGLFM-UHFFFAOYSA-N
XLogP2.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
N-methyl-2-oxo-8-(2-phenyl-1,3-thiazol-5-yl)octanamide
CID 44349717
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289542
(2S,4R)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138342
N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47721234
N-(2-benzamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 53501170
2-ethyl-N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 53537563
2-tert-butyl-N-[2-[(2-phenylacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 53537625
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 53537768
N-(2-benzamidoethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 53547437
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]propan-1-one
CID 71912616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide (CID 62489621) is 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide is Cc1ncc(CN(C)C(=O)C(C)(N)c2ccccc2)s1.
What is the InChIKey of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide?
The InChIKey is LGNBSWIESBGLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-17-9-13(20-11)10-18(3)14(19)15(2,16)12-7-5-4-6-8-12/h4-9H,10,16H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide?
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 62489621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).