4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol

C11H18N2OS — CID 60776521

IUPAC4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CNC2CCC(O)CC2)s1
InChIInChI=1S/C11H18N2OS/c1-8-12-6-11(15-8)7-13-9-2-4-10(14)5-3-9/h6,9-10,13-14H,2-5,7H2,1H3
InChIKeyNVIUOOMPWWSAJZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.84
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol

4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 60776521) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID60776521
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CNC2CCC(O)CC2)s1
InChIInChI=1S/C11H18N2OS/c1-8-12-6-11(15-8)7-13-9-2-4-10(14)5-3-9/h6,9-10,13-14H,2-5,7H2,1H3
InChIKeyNVIUOOMPWWSAJZ-UHFFFAOYSA-N
XLogP1.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol (CID 60776521) is 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol is Cc1ncc(CNC2CCC(O)CC2)s1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is NVIUOOMPWWSAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-12-6-11(15-8)7-13-9-2-4-10(14)5-3-9/h6,9-10,13-14H,2-5,7H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol?
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60776521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).