2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide

C16H27N3O2S — CID 53365616

IUPAC2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1sc(NC2CCCCC2)nc1C
InChIInChI=1S/C16H27N3O2S/c1-3-21-11-7-10-17-15(20)14-12(2)18-16(22-14)19-13-8-5-4-6-9-13/h13H,3-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOPGBLXXDGCYXTO-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.35
Rot. Bonds8

About 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53365616) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53365616
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1sc(NC2CCCCC2)nc1C
InChIInChI=1S/C16H27N3O2S/c1-3-21-11-7-10-17-15(20)14-12(2)18-16(22-14)19-13-8-5-4-6-9-13/h13H,3-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOPGBLXXDGCYXTO-UHFFFAOYSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 45494389
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53299143
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365629
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668835

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53365616) is 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOCCCNC(=O)c1sc(NC2CCCCC2)nc1C.
What is the InChIKey of 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OPGBLXXDGCYXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-3-21-11-7-10-17-15(20)14-12(2)18-16(22-14)19-13-8-5-4-6-9-13/h13H,3-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).