4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol

C13H16N2OS — CID 107803944

IUPAC4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C13H16N2OS/c16-11-4-1-9(2-5-11)15-10-3-6-12-13(7-10)17-8-14-12/h3,6-9,11,15-16H,1-2,4-5H2
InChIKeyCQOLTBVWFSKIOM-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds2

About 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol

4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol (PubChem CID 107803944) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
PubChem CID107803944
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc3ncsc3c2)CC1
InChIInChI=1S/C13H16N2OS/c16-11-4-1-9(2-5-11)15-10-3-6-12-13(7-10)17-8-14-12/h3,6-9,11,15-16H,1-2,4-5H2
InChIKeyCQOLTBVWFSKIOM-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol (CID 107803944) is 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol is OC1CCC(Nc2ccc3ncsc3c2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol?
The InChIKey is CQOLTBVWFSKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-11-4-1-9(2-5-11)15-10-3-6-12-13(7-10)17-8-14-12/h3,6-9,11,15-16H,1-2,4-5H2.
What are the key properties of 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol?
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 107803944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).