4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol

C9H13ClN2OS — CID 83152279

IUPAC4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cs2)CC1
InChIInChI=1S/C9H13ClN2OS/c10-8-5-14-9(12-8)11-6-1-3-7(13)4-2-6/h5-7,13H,1-4H2,(H,11,12)
InChIKeyRDYBQJLJZVMEQH-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.51
Rot. Bonds2

About 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol

4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol (PubChem CID 83152279) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
PubChem CID83152279
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cs2)CC1
InChIInChI=1S/C9H13ClN2OS/c10-8-5-14-9(12-8)11-6-1-3-7(13)4-2-6/h5-7,13H,1-4H2,(H,11,12)
InChIKeyRDYBQJLJZVMEQH-UHFFFAOYSA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol (CID 83152279) is 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)cs2)CC1.
What is the InChIKey of 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
The InChIKey is RDYBQJLJZVMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-8-5-14-9(12-8)11-6-1-3-7(13)4-2-6/h5-7,13H,1-4H2,(H,11,12).
What are the key properties of 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol?
4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol has a molecular weight of 232.74 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 83152279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).