3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C15H17N3O3S — CID 2090742

IUPAC3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNC(C)=O)n2)cc1
InChIInChI=1S/C15H17N3O3S/c1-10(19)16-8-7-14(20)18-15-17-13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyVHZRXJJUKICWIG-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.28
Rot. Bonds6

About 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2090742) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID2090742
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCNC(C)=O)n2)cc1
InChIInChI=1S/C15H17N3O3S/c1-10(19)16-8-7-14(20)18-15-17-13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyVHZRXJJUKICWIG-UHFFFAOYSA-N
XLogP2.28
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 8780790
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 2090742) is 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)CCNC(C)=O)n2)cc1.
What is the InChIKey of 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VHZRXJJUKICWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10(19)16-8-7-14(20)18-15-17-13(9-22-15)11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 319.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2090742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).