7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol

C14H15ClF2N2O2S — CID 135157031

IUPAC7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(Cl)c2sc(NC3CCCC(F)(F)C3)nc12
InChIInChI=1S/C14H15ClF2N2O2S/c1-21-9-5-8(20)10(15)12-11(9)19-13(22-12)18-7-3-2-4-14(16,17)6-7/h5,7,20H,2-4,6H2,1H3,(H,18,19)
InChIKeyPCINSWCBIBQNGP-UHFFFAOYSA-N
MW348.80 g/mol
LogP4.65
Rot. Bonds3

About 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol

7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol (PubChem CID 135157031) has the molecular formula C14H15ClF2N2O2S and a molecular weight of 348.80 g/mol. Its IUPAC name is 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol
PubChem CID135157031
Molecular FormulaC14H15ClF2N2O2S
Molecular Weight348.80 g/mol
Exact Mass348.05
IUPAC Name7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(Cl)c2sc(NC3CCCC(F)(F)C3)nc12
InChIInChI=1S/C14H15ClF2N2O2S/c1-21-9-5-8(20)10(15)12-11(9)19-13(22-12)18-7-3-2-4-14(16,17)6-7/h5,7,20H,2-4,6H2,1H3,(H,18,19)
InChIKeyPCINSWCBIBQNGP-UHFFFAOYSA-N
XLogP4.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol?
The IUPAC name of 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol (CID 135157031) is 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol.
What is the SMILES notation for 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol?
The canonical SMILES for 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol is COc1cc(O)c(Cl)c2sc(NC3CCCC(F)(F)C3)nc12.
What is the InChIKey of 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol?
The InChIKey is PCINSWCBIBQNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O2S/c1-21-9-5-8(20)10(15)12-11(9)19-13(22-12)18-7-3-2-4-14(16,17)6-7/h5,7,20H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol?
7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol has a molecular weight of 348.80 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol is sourced from PubChem (CID 135157031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).