6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol

C17H17FN2OS — CID 57231828

IUPAC6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
SMILESCCCCc1ccc(O)c(Cc2nc3cc(F)ccc3s2)n1
InChIInChI=1S/C17H17FN2OS/c1-2-3-4-12-6-7-15(21)13(19-12)10-17-20-14-9-11(18)5-8-16(14)22-17/h5-9,21H,2-4,10H2,1H3
InChIKeyYHRGXJQSHMVWBD-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.47
Rot. Bonds5

About 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol

6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol (PubChem CID 57231828) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
PubChem CID57231828
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
SMILESCCCCc1ccc(O)c(Cc2nc3cc(F)ccc3s2)n1
InChIInChI=1S/C17H17FN2OS/c1-2-3-4-12-6-7-15(21)13(19-12)10-17-20-14-9-11(18)5-8-16(14)22-17/h5-9,21H,2-4,10H2,1H3
InChIKeyYHRGXJQSHMVWBD-UHFFFAOYSA-N
XLogP4.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-2-(3-hydroxyphenyl)benzothiazole
CID 404991
2-(6-Fluoro-5-(methylamino)pyridin-2-yl)benzo[d]thiazol-6-ol
CID 136276907
2-(1,3-Benzothiazol-2-ylmethyl)phenol
CID 5272163
2-(Benzo[d]thiazol-2-yl)-4-fluorophenol
CID 135563662
2-(Benzo[d]thiazol-2-yl)quinolin-8-ol
CID 136354101
2-(4-Fluorophenyl)-1,3-benzothiazol-4-ol
CID 16734361
[6-[1-(5-Fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
CID 19019494
2-[(5-Fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
CID 53827760
[6-[2-(5-Fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
CID 54493409
2-[(4-Fluorophenyl)methyl]-1,3-benzothiazol-6-ol
CID 54553033
6-Butyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol
CID 56979323
2-[(5,7-Difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
CID 57010077

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
The IUPAC name of 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol (CID 57231828) is 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol.
What is the SMILES notation for 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
The canonical SMILES for 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol is CCCCc1ccc(O)c(Cc2nc3cc(F)ccc3s2)n1.
What is the InChIKey of 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
The InChIKey is YHRGXJQSHMVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-2-3-4-12-6-7-15(21)13(19-12)10-17-20-14-9-11(18)5-8-16(14)22-17/h5-9,21H,2-4,10H2,1H3.
What are the key properties of 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol has a molecular weight of 316.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol is sourced from PubChem (CID 57231828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).