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

C17H26N4O3S — CID 117083232

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C17H26N4O3S/c22-13-6-4-12(5-7-13)20-17-19-11-14(25-17)16(24)18-8-2-10-21-9-1-3-15(21)23/h11-13,22H,1-10H2,(H,18,24)(H,19,20)
InChIKeyYODJQBITMMCEPO-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.60
Rot. Bonds7

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

2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 117083232) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID117083232
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C17H26N4O3S/c22-13-6-4-12(5-7-13)20-17-19-11-14(25-17)16(24)18-8-2-10-21-9-1-3-15(21)23/h11-13,22H,1-10H2,(H,18,24)(H,19,20)
InChIKeyYODJQBITMMCEPO-UHFFFAOYSA-N
XLogP1.60
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117078900
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080345
2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080773
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080991
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082069
N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
CID 117082522
2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117084668
N-[2-[di(propan-2-yl)amino]ethyl]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117085367
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
CID 117092311
2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 117093956
N-(2-hydroxyethyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117094384

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 117083232) is 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YODJQBITMMCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c22-13-6-4-12(5-7-13)20-17-19-11-14(25-17)16(24)18-8-2-10-21-9-1-3-15(21)23/h11-13,22H,1-10H2,(H,18,24)(H,19,20).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).