[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol

C13H22N2OS — CID 62521536

IUPAC[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
SMILESCCc1ncc(CNC2(CO)CCCCC2)s1
InChIInChI=1S/C13H22N2OS/c1-2-12-14-8-11(17-12)9-15-13(10-16)6-4-3-5-7-13/h8,15-16H,2-7,9-10H2,1H3
InChIKeyFIDYVSADAPUXRL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.49
Rot. Bonds5

About [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol

[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol (PubChem CID 62521536) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
PubChem CID62521536
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
SMILESCCc1ncc(CNC2(CO)CCCCC2)s1
InChIInChI=1S/C13H22N2OS/c1-2-12-14-8-11(17-12)9-15-13(10-16)6-4-3-5-7-13/h8,15-16H,2-7,9-10H2,1H3
InChIKeyFIDYVSADAPUXRL-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol (CID 62521536) is [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol is CCc1ncc(CNC2(CO)CCCCC2)s1.
What is the InChIKey of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
The InChIKey is FIDYVSADAPUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-12-14-8-11(17-12)9-15-13(10-16)6-4-3-5-7-13/h8,15-16H,2-7,9-10H2,1H3.
What are the key properties of [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62521536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).