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

C10H15ClN2OS — CID 83152184

IUPAC[1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)cs2)CCCCC1
InChIInChI=1S/C10H15ClN2OS/c11-8-6-15-9(12-8)13-10(7-14)4-2-1-3-5-10/h6,14H,1-5,7H2,(H,12,13)
InChIKeyNTJAFCDEYOSHRV-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.90
Rot. Bonds3

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

[1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol (PubChem CID 83152184) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol
PubChem CID83152184
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name[1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)cs2)CCCCC1
InChIInChI=1S/C10H15ClN2OS/c11-8-6-15-9(12-8)13-10(7-14)4-2-1-3-5-10/h6,14H,1-5,7H2,(H,12,13)
InChIKeyNTJAFCDEYOSHRV-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol (CID 83152184) is [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol is OCC1(Nc2nc(Cl)cs2)CCCCC1.
What is the InChIKey of [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol?
The InChIKey is NTJAFCDEYOSHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c11-8-6-15-9(12-8)13-10(7-14)4-2-1-3-5-10/h6,14H,1-5,7H2,(H,12,13).
What are the key properties of [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol?
[1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol has a molecular weight of 246.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 83152184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).