(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C15H17N3O2S — CID 9451642

IUPAC(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ncc(C)s1)c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-10-9-16-15(21-10)18-14(20)8-13(17-11(2)19)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,19)(H,16,18,20)/t13-/m1/s1
InChIKeyCMMZYZZJZGHJKK-CYBMUJFWSA-N
MW303.39 g/mol
LogP2.66
Rot. Bonds5

About (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 9451642) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID9451642
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ncc(C)s1)c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-10-9-16-15(21-10)18-14(20)8-13(17-11(2)19)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,19)(H,16,18,20)/t13-/m1/s1
InChIKeyCMMZYZZJZGHJKK-CYBMUJFWSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 51309529
3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009235
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
(3R)-3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenylpropanamide
CID 8781136
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 100816089
3-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 24598681
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 9451642) is (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is CC(=O)N[C@H](CC(=O)Nc1ncc(C)s1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is CMMZYZZJZGHJKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-9-16-15(21-10)18-14(20)8-13(17-11(2)19)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,19)(H,16,18,20)/t13-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 303.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 9451642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).