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

C11H17ClN2OS — CID 102631816

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cnc(Cl)s1)C1CCCCC1O
InChIInChI=1S/C11H17ClN2OS/c1-14(7-8-6-13-11(12)16-8)9-4-2-3-5-10(9)15/h6,9-10,15H,2-5,7H2,1H3
InChIKeyJIZOBCYHYRNLJA-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.53
Rot. Bonds3

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

2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102631816) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102631816
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCN(Cc1cnc(Cl)s1)C1CCCCC1O
InChIInChI=1S/C11H17ClN2OS/c1-14(7-8-6-13-11(12)16-8)9-4-2-3-5-10(9)15/h6,9-10,15H,2-5,7H2,1H3
InChIKeyJIZOBCYHYRNLJA-UHFFFAOYSA-N
XLogP2.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol (CID 102631816) is 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol is CN(Cc1cnc(Cl)s1)C1CCCCC1O.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is JIZOBCYHYRNLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-14(7-8-6-13-11(12)16-8)9-4-2-3-5-10(9)15/h6,9-10,15H,2-5,7H2,1H3.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol?
2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).