N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine

C16H11FN4OS2 — CID 73388169

IUPACN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3nnc(-c4cccc(F)c4)s3)nc12
InChIInChI=1S/C16H11FN4OS2/c1-22-11-6-3-7-12-13(11)18-15(23-12)19-16-21-20-14(24-16)9-4-2-5-10(17)8-9/h2-8H,1H3,(H,18,19,21)
InChIKeyKHJOBTWXXSWAJW-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.71
Rot. Bonds4

About N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 73388169) has the molecular formula C16H11FN4OS2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID73388169
Molecular FormulaC16H11FN4OS2
Molecular Weight358.42 g/mol
Exact Mass358.04
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(Nc3nnc(-c4cccc(F)c4)s3)nc12
InChIInChI=1S/C16H11FN4OS2/c1-22-11-6-3-7-12-13(11)18-15(23-12)19-16-21-20-14(24-16)9-4-2-5-10(17)8-9/h2-8H,1H3,(H,18,19,21)
InChIKeyKHJOBTWXXSWAJW-UHFFFAOYSA-N
XLogP4.71
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazol-2-amine
CID 90078532
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
3-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105535
N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513182
4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109940
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine
CID 43968329
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 156770986

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine (CID 73388169) is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine is COc1cccc2sc(Nc3nnc(-c4cccc(F)c4)s3)nc12.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is KHJOBTWXXSWAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS2/c1-22-11-6-3-7-12-13(11)18-15(23-12)19-16-21-20-14(24-16)9-4-2-5-10(17)8-9/h2-8H,1H3,(H,18,19,21).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine?
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 358.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 73388169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).