N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide

C19H32N4O2S — CID 143192689

IUPACN-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide
SMILESCNCCCCCC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C19H32N4O2S/c1-20-11-7-3-6-10-17(24)23-19-22-16(14-26-19)12-18(25)21-13-15-8-4-2-5-9-15/h14-15,20H,2-13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyJXKCNZCZEMKOEW-UHFFFAOYSA-N
MW380.56 g/mol
LogP3.10
Rot. Bonds11

About N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide

N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide (PubChem CID 143192689) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide
PubChem CID143192689
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC NameN-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide
SMILESCNCCCCCC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1
InChIInChI=1S/C19H32N4O2S/c1-20-11-7-3-6-10-17(24)23-19-22-16(14-26-19)12-18(25)21-13-15-8-4-2-5-9-15/h14-15,20H,2-13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyJXKCNZCZEMKOEW-UHFFFAOYSA-N
XLogP3.10
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 857960
N-(cyclohexylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 17540966
N-[4-[1-(cyclobutanecarbonyl)azetidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828348
4-[2-(4-Carbamoyl-1-piperidyl)-2-oxoethyl]-1,3-thiazol-2-yl methanecarbamate
CID 16883842
Isobutyl (4-(2-(cyclohexylamino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16884001
N-(4-(2-(cyclohexylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 18568228
N-[4-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 25905024
1-Cyclohexyl-3-(4-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)thiazol-2-yl)urea
CID 41211604
N-(4-(2-(ethylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 41227694
N-(4-{[(cyclohexylmethyl)carbamoyl]methyl}-1,3-thiazol-2-yl)-(S)-5-oxo-2-pyrrolidinecarboxamide
CID 42590173
N-(4-(2-((cyclohexylmethyl)amino)-2-oxoethyl)thiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 42590205
2-(2-acetamidothiazol-4-yl)-N-(cyclohexylmethyl)acetamide
CID 44016029

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide?
The IUPAC name of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide (CID 143192689) is N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide.
What is the SMILES notation for N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide?
The canonical SMILES for N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide is CNCCCCCC(=O)Nc1nc(CC(=O)NCC2CCCCC2)cs1.
What is the InChIKey of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide?
The InChIKey is JXKCNZCZEMKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2S/c1-20-11-7-3-6-10-17(24)23-19-22-16(14-26-19)12-18(25)21-13-15-8-4-2-5-9-15/h14-15,20H,2-13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide?
N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide has a molecular weight of 380.56 g/mol, XLogP of 3.10, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(methylamino)hexanamide is sourced from PubChem (CID 143192689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).