N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide

C16H25N3O2S — CID 174867647

IUPACN-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide
SMILESCCCCC(=O)Nc1cc(C(=O)NCC2CCCCC2)sn1
InChIInChI=1S/C16H25N3O2S/c1-2-3-9-15(20)18-14-10-13(22-19-14)16(21)17-11-12-7-5-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyCLKIMTLXRYAFKW-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.58
Rot. Bonds7

About N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide

N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide (PubChem CID 174867647) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide
PubChem CID174867647
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide
SMILESCCCCC(=O)Nc1cc(C(=O)NCC2CCCCC2)sn1
InChIInChI=1S/C16H25N3O2S/c1-2-3-9-15(20)18-14-10-13(22-19-14)16(21)17-11-12-7-5-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyCLKIMTLXRYAFKW-UHFFFAOYSA-N
XLogP3.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110155
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-[4-(cyclohexylamino)phenyl]pentanamide
CID 112980712
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
N-(cyclopentylmethyl)-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 146131237
N-(cyclohexylmethyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915314
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide (CID 174867647) is N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide is CCCCC(=O)Nc1cc(C(=O)NCC2CCCCC2)sn1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide?
The InChIKey is CLKIMTLXRYAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-3-9-15(20)18-14-10-13(22-19-14)16(21)17-11-12-7-5-4-6-8-12/h10,12H,2-9,11H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide?
N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(pentanoylamino)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 174867647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).