N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide

C17H18N4O3S — CID 86996837

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide
SMILESO=C(NCC(=O)N1CCCC1)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H18N4O3S/c22-14(21-8-1-2-9-21)11-19-15(23)16(24)20-13-5-3-12(4-6-13)17-18-7-10-25-17/h3-7,10H,1-2,8-9,11H2,(H,19,23)(H,20,24)
InChIKeyYPOUIHFPFNCJTL-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.49
Rot. Bonds4

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide (PubChem CID 86996837) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide
PubChem CID86996837
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide
SMILESO=C(NCC(=O)N1CCCC1)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H18N4O3S/c22-14(21-8-1-2-9-21)11-19-15(23)16(24)20-13-5-3-12(4-6-13)17-18-7-10-25-17/h3-7,10H,1-2,8-9,11H2,(H,19,23)(H,20,24)
InChIKeyYPOUIHFPFNCJTL-UHFFFAOYSA-N
XLogP1.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
4-benzoyl-N-[4-(1,3-thiazol-2-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 112824892
1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
CID 81179825
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60611908
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide (CID 86996837) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide is O=C(NCC(=O)N1CCCC1)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide?
The InChIKey is YPOUIHFPFNCJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-14(21-8-1-2-9-21)11-19-15(23)16(24)20-13-5-3-12(4-6-13)17-18-7-10-25-17/h3-7,10H,1-2,8-9,11H2,(H,19,23)(H,20,24).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide has a molecular weight of 358.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-N'-[4-(1,3-thiazol-2-yl)phenyl]oxamide is sourced from PubChem (CID 86996837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).