[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol

C12H20N2OS2 — CID 79640843

IUPAC[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Sc2nc(C)cs2)C1
InChIInChI=1S/C12H20N2OS2/c1-9-7-16-11(14-9)17-10-4-3-5-12(6-10,8-15)13-2/h7,10,13,15H,3-6,8H2,1-2H3
InChIKeyCPJLRJMJNUAFPN-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.44
Rot. Bonds4

About [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol

[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol (PubChem CID 79640843) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
PubChem CID79640843
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Sc2nc(C)cs2)C1
InChIInChI=1S/C12H20N2OS2/c1-9-7-16-11(14-9)17-10-4-3-5-12(6-10,8-15)13-2/h7,10,13,15H,3-6,8H2,1-2H3
InChIKeyCPJLRJMJNUAFPN-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol (CID 79640843) is [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol is CNC1(CO)CCCC(Sc2nc(C)cs2)C1.
What is the InChIKey of [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The InChIKey is CPJLRJMJNUAFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-9-7-16-11(14-9)17-10-4-3-5-12(6-10,8-15)13-2/h7,10,13,15H,3-6,8H2,1-2H3.
What are the key properties of [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol?
[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol has a molecular weight of 272.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol is sourced from PubChem (CID 79640843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).