2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C16H26N4O3S — CID 117084668

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C16H26N4O3S/c21-13-3-1-12(2-4-13)19-16-18-11-14(24-16)15(22)17-5-6-20-7-9-23-10-8-20/h11-13,21H,1-10H2,(H,17,22)(H,18,19)
InChIKeyXDCJMNROEGWJKV-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.92
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117084668) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID117084668
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C16H26N4O3S/c21-13-3-1-12(2-4-13)19-16-18-11-14(24-16)15(22)17-5-6-20-7-9-23-10-8-20/h11-13,21H,1-10H2,(H,17,22)(H,18,19)
InChIKeyXDCJMNROEGWJKV-UHFFFAOYSA-N
XLogP0.92
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-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-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 139263977
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 117080578
2-[(4-hydroxycyclohexyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 117080773
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
N-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]-1,3-thiazole-5-carboxamide
CID 117082522
2-(ethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117082667
2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 117082836
N-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 117083121
2-[(4-hydroxycyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117083232
2-(4-morpholin-4-ylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 117083675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 117084668) is 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XDCJMNROEGWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c21-13-3-1-12(2-4-13)19-16-18-11-14(24-16)15(22)17-5-6-20-7-9-23-10-8-20/h11-13,21H,1-10H2,(H,17,22)(H,18,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).