2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C17H27N5O3S — CID 117080482

IUPAC2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C17H27N5O3S/c23-15-3-1-6-22(15)7-2-4-18-16(24)14-13-20-17(26-14)19-5-8-21-9-11-25-12-10-21/h13H,1-12H2,(H,18,24)(H,19,20)
InChIKeyYZNUVWIIEWGMES-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.63
Rot. Bonds9

About 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 117080482) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID117080482
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C17H27N5O3S/c23-15-3-1-6-22(15)7-2-4-18-16(24)14-13-20-17(26-14)19-5-8-21-9-11-25-12-10-21/h13H,1-12H2,(H,18,24)(H,19,20)
InChIKeyYZNUVWIIEWGMES-UHFFFAOYSA-N
XLogP0.63
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
2-amino-N-methyl-N-(4-morpholin-4-ylbutyl)-1,3-thiazole-5-carboxamide
CID 124218298
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 139263977
2-(ethylamino)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 71864067
2-(ethylamino)-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525680
2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080499
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117080578
N-cyclopropyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117081630
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117082139

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 117080482) is 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(NCCN2CCOCC2)s1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YZNUVWIIEWGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c23-15-3-1-6-22(15)7-2-4-18-16(24)14-13-20-17(26-14)19-5-8-21-9-11-25-12-10-21/h13H,1-12H2,(H,18,24)(H,19,20).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117080482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).