N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C14H22N2OS — CID 118726220

IUPACN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(CC2CCCCC2)s1
InChIInChI=1S/C14H22N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyXBAYZSOHSRVLAP-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.86
Rot. Bonds4

About N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 118726220) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID118726220
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(CC2CCCCC2)s1
InChIInChI=1S/C14H22N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyXBAYZSOHSRVLAP-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 118726220) is N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ncc(CC2CCCCC2)s1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is XBAYZSOHSRVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)13(17)16-14-15-9-12(18-14)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 118726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).