2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol

C14H11FN2O2S — CID 142733980

IUPAC2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
SMILESCOc1ccc(Nc2nc3ccc(O)cc3s2)cc1F
InChIInChI=1S/C14H11FN2O2S/c1-19-12-5-2-8(6-10(12)15)16-14-17-11-4-3-9(18)7-13(11)20-14/h2-7,18H,1H3,(H,16,17)
InChIKeySAGLALRWJGCNMP-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.89
Rot. Bonds3

About 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol

2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol (PubChem CID 142733980) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
PubChem CID142733980
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
SMILESCOc1ccc(Nc2nc3ccc(O)cc3s2)cc1F
InChIInChI=1S/C14H11FN2O2S/c1-19-12-5-2-8(6-10(12)15)16-14-17-11-4-3-9(18)7-13(11)20-14/h2-7,18H,1H3,(H,16,17)
InChIKeySAGLALRWJGCNMP-UHFFFAOYSA-N
XLogP3.89
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
CID 142733952
3-fluoro-4-methoxyphenol
CID 14661613
2-N-(4-bromo-3-methoxyphenyl)-1,3-benzothiazole-2,6-diamine
CID 82857943
4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376
6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 79143632
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
4-(3-fluoro-4-methoxyanilino)benzenecarbothioamide
CID 43380976
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol (CID 142733980) is 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol is COc1ccc(Nc2nc3ccc(O)cc3s2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol?
The InChIKey is SAGLALRWJGCNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-19-12-5-2-8(6-10(12)15)16-14-17-11-4-3-9(18)7-13(11)20-14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol?
2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol has a molecular weight of 290.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 142733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).