N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C17H20N2OS — CID 741544

IUPACN-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C1CCCCC1
InChIInChI=1S/C17H20N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,19,20)
InChIKeyYVKZZKOGSXBRKJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.25
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 741544) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID741544
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C1CCCCC1
InChIInChI=1S/C17H20N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,19,20)
InChIKeyYVKZZKOGSXBRKJ-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 741544) is N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCCC1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is YVKZZKOGSXBRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,18,19,20).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 741544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).