[2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol

C11H17ClN2OS — CID 83152547

IUPAC[2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(Cl)cs1
InChIInChI=1S/C11H17ClN2OS/c12-10-7-16-11(14-10)13-5-8-3-1-2-4-9(8)6-15/h7-9,15H,1-6H2,(H,13,14)
InChIKeyKGULZPAMYJWFFR-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.01
Rot. Bonds4

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

[2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 83152547) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol
PubChem CID83152547
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name[2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(Cl)cs1
InChIInChI=1S/C11H17ClN2OS/c12-10-7-16-11(14-10)13-5-8-3-1-2-4-9(8)6-15/h7-9,15H,1-6H2,(H,13,14)
InChIKeyKGULZPAMYJWFFR-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol (CID 83152547) is [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1nc(Cl)cs1.
What is the InChIKey of [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is KGULZPAMYJWFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c12-10-7-16-11(14-10)13-5-8-3-1-2-4-9(8)6-15/h7-9,15H,1-6H2,(H,13,14).
What are the key properties of [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 260.79 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 83152547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).