N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide

C18H20N4O3S — CID 167822050

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCC3CCC(=O)N3)n2)cc1
InChIInChI=1S/C18H20N4O3S/c1-11(23)19-13-4-2-12(3-5-13)15-10-26-18(21-15)22-17(25)9-7-14-6-8-16(24)20-14/h2-5,10,14H,6-9H2,1H3,(H,19,23)(H,20,24)(H,21,22,25)
InChIKeyIBXZCIOBKOQVNV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.77
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide (PubChem CID 167822050) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
PubChem CID167822050
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCC3CCC(=O)N3)n2)cc1
InChIInChI=1S/C18H20N4O3S/c1-11(23)19-13-4-2-12(3-5-13)15-10-26-18(21-15)22-17(25)9-7-14-6-8-16(24)20-14/h2-5,10,14H,6-9H2,1H3,(H,19,23)(H,20,24)(H,21,22,25)
InChIKeyIBXZCIOBKOQVNV-UHFFFAOYSA-N
XLogP2.77
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119676258
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide
CID 35505939

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide (CID 167822050) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCC3CCC(=O)N3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The InChIKey is IBXZCIOBKOQVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(23)19-13-4-2-12(3-5-13)15-10-26-18(21-15)22-17(25)9-7-14-6-8-16(24)20-14/h2-5,10,14H,6-9H2,1H3,(H,19,23)(H,20,24)(H,21,22,25).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 167822050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).