2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

C15H16ClN3O2S — CID 43045656

IUPAC2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O2S/c1-9(18-10(2)20)14(21)19-15-17-8-13(22-15)7-11-4-3-5-12(16)6-11/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeySADUCMPFEMIRDZ-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.85
Rot. Bonds5

About 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide

2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 43045656) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID43045656
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O2S/c1-9(18-10(2)20)14(21)19-15-17-8-13(22-15)7-11-4-3-5-12(16)6-11/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeySADUCMPFEMIRDZ-UHFFFAOYSA-N
XLogP2.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488302
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)propanamide
CID 46693319
2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 45479114
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
(2R)-2-acetamido-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide
CID 25497837
2-chloro-N-[(2S)-1-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 24575713
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 43045656) is 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(=O)NC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is SADUCMPFEMIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-9(18-10(2)20)14(21)19-15-17-8-13(22-15)7-11-4-3-5-12(16)6-11/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 337.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 43045656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).