7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol

C14H17FN2O3S — CID 135156984

IUPAC7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(F)c2sc(N[C@H]3CCCC[C@@H]3O)nc12
InChIInChI=1S/C14H17FN2O3S/c1-20-10-6-9(19)11(15)13-12(10)17-14(21-13)16-7-4-2-3-5-8(7)18/h6-8,18-19H,2-5H2,1H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyXCFFXQDZIWADLW-YUMQZZPRSA-N
MW312.37 g/mol
LogP2.87
Rot. Bonds3

About 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol

7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol (PubChem CID 135156984) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
PubChem CID135156984
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(F)c2sc(N[C@H]3CCCC[C@@H]3O)nc12
InChIInChI=1S/C14H17FN2O3S/c1-20-10-6-9(19)11(15)13-12(10)17-14(21-13)16-7-4-2-3-5-8(7)18/h6-8,18-19H,2-5H2,1H3,(H,16,17)/t7-,8-/m0/s1
InChIKeyXCFFXQDZIWADLW-YUMQZZPRSA-N
XLogP2.87
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
The IUPAC name of 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol (CID 135156984) is 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol.
What is the SMILES notation for 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
The canonical SMILES for 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol is COc1cc(O)c(F)c2sc(N[C@H]3CCCC[C@@H]3O)nc12.
What is the InChIKey of 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
The InChIKey is XCFFXQDZIWADLW-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-20-10-6-9(19)11(15)13-12(10)17-14(21-13)16-7-4-2-3-5-8(7)18/h6-8,18-19H,2-5H2,1H3,(H,16,17)/t7-,8-/m0/s1.
What are the key properties of 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol?
7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol has a molecular weight of 312.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-4-methoxy-1,3-benzothiazol-6-ol is sourced from PubChem (CID 135156984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).