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

C11H17ClN2OS — CID 83152299

IUPAC[1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN2OS/c1-8-3-2-4-11(5-8,7-15)14-10-13-9(12)6-16-10/h6,8,15H,2-5,7H2,1H3,(H,13,14)
InChIKeyQDGDOSXQZKUXIO-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.15
Rot. Bonds3

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

[1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol (PubChem CID 83152299) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol
PubChem CID83152299
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name[1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN2OS/c1-8-3-2-4-11(5-8,7-15)14-10-13-9(12)6-16-10/h6,8,15H,2-5,7H2,1H3,(H,13,14)
InChIKeyQDGDOSXQZKUXIO-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.15
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]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol (CID 83152299) is [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(Nc2nc(Cl)cs2)C1.
What is the InChIKey of [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is QDGDOSXQZKUXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-8-3-2-4-11(5-8,7-15)14-10-13-9(12)6-16-10/h6,8,15H,2-5,7H2,1H3,(H,13,14).
What are the key properties of [1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol?
[1-[(4-chloro-1,3-thiazol-2-yl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 260.79 g/mol, XLogP of 3.15, 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]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 83152299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).