N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide

C14H22N2OS — CID 110728045

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCCCC2)cs1
InChIInChI=1S/C14H22N2OS/c1-10(2)14-16-12(9-18-14)8-15-13(17)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyDJXISRYHZHFHBG-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.46
Rot. Bonds4

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 110728045) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
PubChem CID110728045
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
SMILESCC(C)c1nc(CNC(=O)C2CCCCC2)cs1
InChIInChI=1S/C14H22N2OS/c1-10(2)14-16-12(9-18-14)8-15-13(17)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyDJXISRYHZHFHBG-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 115595016
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 26390541

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide (CID 110728045) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide is CC(C)c1nc(CNC(=O)C2CCCCC2)cs1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is DJXISRYHZHFHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)14-16-12(9-18-14)8-15-13(17)11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110728045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).