6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine

C15H13FN2OS — CID 79143476

IUPAC6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccc(CNc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H13FN2OS/c1-19-12-4-2-3-10(7-12)9-17-15-18-13-6-5-11(16)8-14(13)20-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyHCFZEQXPBWKMKE-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.06
Rot. Bonds4

About 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79143476) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79143476
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccc(CNc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H13FN2OS/c1-19-12-4-2-3-10(7-12)9-17-15-18-13-6-5-11(16)8-14(13)20-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyHCFZEQXPBWKMKE-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79533816
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 142711940
5-bromo-N-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622633
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine (CID 79143476) is 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine is COc1cccc(CNc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is HCFZEQXPBWKMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-19-12-4-2-3-10(7-12)9-17-15-18-13-6-5-11(16)8-14(13)20-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).