[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol

C12H20N2OS — CID 62759472

IUPAC[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cncs2)CC1
InChIInChI=1S/C12H20N2OS/c1-10-2-4-12(8-15,5-3-10)14-7-11-6-13-9-16-11/h6,9-10,14-15H,2-5,7-8H2,1H3
InChIKeyKTPXATSADKLUGA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.17
Rot. Bonds4

About [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol

[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol (PubChem CID 62759472) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
PubChem CID62759472
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cncs2)CC1
InChIInChI=1S/C12H20N2OS/c1-10-2-4-12(8-15,5-3-10)14-7-11-6-13-9-16-11/h6,9-10,14-15H,2-5,7-8H2,1H3
InChIKeyKTPXATSADKLUGA-UHFFFAOYSA-N
XLogP2.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol (CID 62759472) is [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol is CC1CCC(CO)(NCc2cncs2)CC1.
What is the InChIKey of [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol?
The InChIKey is KTPXATSADKLUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-2-4-12(8-15,5-3-10)14-7-11-6-13-9-16-11/h6,9-10,14-15H,2-5,7-8H2,1H3.
What are the key properties of [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol?
[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62759472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).