(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide

C13H15N3OS — CID 104897686

IUPAC(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1nc(CNC(=O)[C@@H](N)c2ccccc2)cs1
InChIInChI=1S/C13H15N3OS/c1-9-16-11(8-18-9)7-15-13(17)12(14)10-5-3-2-4-6-10/h2-6,8,12H,7,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyGULDKBKZJWFSOX-LBPRGKRZSA-N
MW261.35 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 104897686) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
PubChem CID104897686
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1nc(CNC(=O)[C@@H](N)c2ccccc2)cs1
InChIInChI=1S/C13H15N3OS/c1-9-16-11(8-18-9)7-15-13(17)12(14)10-5-3-2-4-6-10/h2-6,8,12H,7,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyGULDKBKZJWFSOX-LBPRGKRZSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
3-amino-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895360
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
CID 104898150
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide (CID 104897686) is (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide is Cc1nc(CNC(=O)[C@@H](N)c2ccccc2)cs1.
What is the InChIKey of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is GULDKBKZJWFSOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-16-11(8-18-9)7-15-13(17)12(14)10-5-3-2-4-6-10/h2-6,8,12H,7,14H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 261.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 104897686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).