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

C17H26N2OS — CID 118726221

IUPACN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(CC2CCCCC2)s1)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h12-14H,1-11H2,(H,18,19,20)
InChIKeyIHYRUYQWXNUXFJ-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.78
Rot. Bonds4

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

N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (PubChem CID 118726221) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
PubChem CID118726221
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1ncc(CC2CCCCC2)s1)C1CCCCC1
InChIInChI=1S/C17H26N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h12-14H,1-11H2,(H,18,19,20)
InChIKeyIHYRUYQWXNUXFJ-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.78
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]cyclohexanecarboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide (CID 118726221) is N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1ncc(CC2CCCCC2)s1)C1CCCCC1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is IHYRUYQWXNUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c20-16(14-9-5-2-6-10-14)19-17-18-12-15(21-17)11-13-7-3-1-4-8-13/h12-14H,1-11H2,(H,18,19,20).
What are the key properties of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide?
N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 306.47 g/mol, XLogP of 4.78, 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]cyclohexanecarboxamide is sourced from PubChem (CID 118726221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).