2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C13H13FN2OS — CID 59576625

IUPAC2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccc(-c2nc3c(s2)CNCC3)cc1F
InChIInChI=1S/C13H13FN2OS/c1-17-11-3-2-8(6-9(11)14)13-16-10-4-5-15-7-12(10)18-13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyUJBSYQNGXPJKST-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 59576625) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID59576625
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1ccc(-c2nc3c(s2)CNCC3)cc1F
InChIInChI=1S/C13H13FN2OS/c1-17-11-3-2-8(6-9(11)14)13-16-10-4-5-15-7-12(10)18-13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyUJBSYQNGXPJKST-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 114016262
2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol
CID 136927540
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548084
2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548090
2-(4-bromo-3-chlorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 114077278
2-(2,4,6-trifluorophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 114016041
2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548928
2-(3-fluoro-4-methoxyphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65096111
2-[(5-ethyl-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154625
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549460
2-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 79718175

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 59576625) is 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is COc1ccc(-c2nc3c(s2)CNCC3)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is UJBSYQNGXPJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-17-11-3-2-8(6-9(11)14)13-16-10-4-5-15-7-12(10)18-13/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 264.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 59576625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).