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

C21H27N5O3S — CID 117080609

IUPAC2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C21H27N5O3S/c27-19-3-1-9-26(19)10-2-8-22-20(28)18-15-30-21(24-18)23-16-4-6-17(7-5-16)25-11-13-29-14-12-25/h4-7,15H,1-3,8-14H2,(H,22,28)(H,23,24)
InChIKeyLVULFNGYCSNAHO-UHFFFAOYSA-N
MW429.55 g/mol
LogP2.47
Rot. Bonds8

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

2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 117080609) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID117080609
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C21H27N5O3S/c27-19-3-1-9-26(19)10-2-8-22-20(28)18-15-30-21(24-18)23-16-4-6-17(7-5-16)25-11-13-29-14-12-25/h4-7,15H,1-3,8-14H2,(H,22,28)(H,23,24)
InChIKeyLVULFNGYCSNAHO-UHFFFAOYSA-N
XLogP2.47
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117085100
6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 117089914
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
1-[3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090981
2-[(4-chlorophenoxy)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 30892188
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 7098101
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 117080609) is 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is O=C(NCCCN1CCCC1=O)c1csc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LVULFNGYCSNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c27-19-3-1-9-26(19)10-2-8-22-20(28)18-15-30-21(24-18)23-16-4-6-17(7-5-16)25-11-13-29-14-12-25/h4-7,15H,1-3,8-14H2,(H,22,28)(H,23,24).
What are the key properties of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117080609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).