N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide

C13H21N3OS — CID 82342658

IUPACN-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C2CCCCC2)c(N)s1
InChIInChI=1S/C13H21N3OS/c1-2-6-10(17)15-13-16-11(12(14)18-13)9-7-4-3-5-8-9/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyOYVSNVOBFFVRTJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.51
Rot. Bonds4

About N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide

N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide (PubChem CID 82342658) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide
PubChem CID82342658
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C2CCCCC2)c(N)s1
InChIInChI=1S/C13H21N3OS/c1-2-6-10(17)15-13-16-11(12(14)18-13)9-7-4-3-5-8-9/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyOYVSNVOBFFVRTJ-UHFFFAOYSA-N
XLogP3.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)pentanamide
CID 82342659
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4217524
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
CID 82342366
2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166431904
4-cyclobutyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226657
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
CID 130841255
(2-cyclohexyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(butanoylamino)benzoate
CID 20953130
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
CID 82194095
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
methyl 4-cyclopentyl-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 154861332
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide (CID 82342658) is N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(C2CCCCC2)c(N)s1.
What is the InChIKey of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is OYVSNVOBFFVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-6-10(17)15-13-16-11(12(14)18-13)9-7-4-3-5-8-9/h9H,2-8,14H2,1H3,(H,15,16,17).
What are the key properties of N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide?
N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 267.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-cyclohexyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 82342658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).