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

C12H20N2OS — CID 62522206

IUPAC[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
SMILESCc1ncc(CNC2(CO)CCCCC2)s1
InChIInChI=1S/C12H20N2OS/c1-10-13-7-11(16-10)8-14-12(9-15)5-3-2-4-6-12/h7,14-15H,2-6,8-9H2,1H3
InChIKeyVMYZHDIQKIMLJA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.24
Rot. Bonds4

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

[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol (PubChem CID 62522206) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
PubChem CID62522206
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol
SMILESCc1ncc(CNC2(CO)CCCCC2)s1
InChIInChI=1S/C12H20N2OS/c1-10-13-7-11(16-10)8-14-12(9-15)5-3-2-4-6-12/h7,14-15H,2-6,8-9H2,1H3
InChIKeyVMYZHDIQKIMLJA-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol (CID 62522206) is [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol is Cc1ncc(CNC2(CO)CCCCC2)s1.
What is the InChIKey of [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
The InChIKey is VMYZHDIQKIMLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-13-7-11(16-10)8-14-12(9-15)5-3-2-4-6-12/h7,14-15H,2-6,8-9H2,1H3.
What are the key properties of [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol?
[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol has a molecular weight of 240.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62522206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).