2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide

C16H24N2OS — CID 155622190

IUPAC2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide
SMILESCCC1(C(N)=O)CCC1c1cnc(C2CCCCC2)s1
InChIInChI=1S/C16H24N2OS/c1-2-16(15(17)19)9-8-12(16)13-10-18-14(20-13)11-6-4-3-5-7-11/h10-12H,2-9H2,1H3,(H2,17,19)
InChIKeyNGYPPTSHOQCKFN-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.95
Rot. Bonds4

About 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide

2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide (PubChem CID 155622190) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide
PubChem CID155622190
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide
SMILESCCC1(C(N)=O)CCC1c1cnc(C2CCCCC2)s1
InChIInChI=1S/C16H24N2OS/c1-2-16(15(17)19)9-8-12(16)13-10-18-14(20-13)11-6-4-3-5-7-11/h10-12H,2-9H2,1H3,(H2,17,19)
InChIKeyNGYPPTSHOQCKFN-UHFFFAOYSA-N
XLogP3.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide (CID 155622190) is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide is CCC1(C(N)=O)CCC1c1cnc(C2CCCCC2)s1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide?
The InChIKey is NGYPPTSHOQCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-16(15(17)19)9-8-12(16)13-10-18-14(20-13)11-6-4-3-5-7-11/h10-12H,2-9H2,1H3,(H2,17,19).
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide?
2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-1-ethylcyclobutane-1-carboxamide is sourced from PubChem (CID 155622190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).