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

C16H20N2O2S — CID 125176822

IUPAC(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCCCc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12-11-21-14(18-12)9-6-10-17-16(19)15(20-2)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyOOGCHTKWFHOFIX-HNNXBMFYSA-N
MW304.42 g/mol
LogP2.89
Rot. Bonds7

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

(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide (PubChem CID 125176822) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
PubChem CID125176822
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NCCCc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12-11-21-14(18-12)9-6-10-17-16(19)15(20-2)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyOOGCHTKWFHOFIX-HNNXBMFYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110007093
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
2-methoxy-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
CID 90651915
(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 98314597
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide (CID 125176822) is (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide is CO[C@H](C(=O)NCCCc1nc(C)cs1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide?
The InChIKey is OOGCHTKWFHOFIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-11-21-14(18-12)9-6-10-17-16(19)15(20-2)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide?
(2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide has a molecular weight of 304.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 125176822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).