1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

C15H22N2OS — CID 155622187

IUPAC1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
SMILESC[C@H]1CCCC[C@@H]1c1cnc(C2(C(N)=O)CCC2)s1
InChIInChI=1S/C15H22N2OS/c1-10-5-2-3-6-11(10)12-9-17-14(19-12)15(13(16)18)7-4-8-15/h9-11H,2-8H2,1H3,(H2,16,18)/t10-,11-/m0/s1
InChIKeyIWKSBSMJYRPOCE-QWRGUYRKSA-N
MW278.42 g/mol
LogP3.34
Rot. Bonds3

About 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide (PubChem CID 155622187) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
PubChem CID155622187
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
SMILESC[C@H]1CCCC[C@@H]1c1cnc(C2(C(N)=O)CCC2)s1
InChIInChI=1S/C15H22N2OS/c1-10-5-2-3-6-11(10)12-9-17-14(19-12)15(13(16)18)7-4-8-15/h9-11H,2-8H2,1H3,(H2,16,18)/t10-,11-/m0/s1
InChIKeyIWKSBSMJYRPOCE-QWRGUYRKSA-N
XLogP3.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide (CID 155622187) is 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide is C[C@H]1CCCC[C@@H]1c1cnc(C2(C(N)=O)CCC2)s1.
What is the InChIKey of 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
The InChIKey is IWKSBSMJYRPOCE-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-5-2-3-6-11(10)12-9-17-14(19-12)15(13(16)18)7-4-8-15/h9-11H,2-8H2,1H3,(H2,16,18)/t10-,11-/m0/s1.
What are the key properties of 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide?
1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1S,2S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 155622187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).