(2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

C13H15N3OS — CID 23646348

IUPAC(2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)[C@H](C)N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-11(9(2)18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyYBJRXGCOAGWFHV-QMMMGPOBSA-N
MW261.35 g/mol
LogP2.40
Rot. Bonds3

About (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

(2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23646348) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID23646348
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)[C@H](C)N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-11(9(2)18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyYBJRXGCOAGWFHV-QMMMGPOBSA-N
XLogP2.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (CID 23646348) is (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is Cc1sc(NC(=O)[C@H](C)N)nc1-c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is YBJRXGCOAGWFHV-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-11(9(2)18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23646348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).