N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide

C15H17N3O2S — CID 86616168

IUPACN-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(CCC(=O)CN)cc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-10(19)17-15-18-14(9-21-15)12-5-2-11(3-6-12)4-7-13(20)8-16/h2-3,5-6,9H,4,7-8,16H2,1H3,(H,17,18,19)
InChIKeyVZUNCQVLVYGJHW-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.23
Rot. Bonds6

About N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86616168) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86616168
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(CCC(=O)CN)cc2)cs1
InChIInChI=1S/C15H17N3O2S/c1-10(19)17-15-18-14(9-21-15)12-5-2-11(3-6-12)4-7-13(20)8-16/h2-3,5-6,9H,4,7-8,16H2,1H3,(H,17,18,19)
InChIKeyVZUNCQVLVYGJHW-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate
CID 87993044
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethyliminomethylcarbamic acid
CID 87741097
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide (CID 86616168) is N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc(CCC(=O)CN)cc2)cs1.
What is the InChIKey of N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VZUNCQVLVYGJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(19)17-15-18-14(9-21-15)12-5-2-11(3-6-12)4-7-13(20)8-16/h2-3,5-6,9H,4,7-8,16H2,1H3,(H,17,18,19).
What are the key properties of N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86616168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).