5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine

C15H12FN3OS — CID 156770986

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3ccccc3)s2)cc1F
InChIInChI=1S/C15H12FN3OS/c1-20-13-8-7-10(9-12(13)16)14-18-19-15(21-14)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)
InChIKeyBVHBPHGRRKLQIQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.10
Rot. Bonds4

About 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine

5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 156770986) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID156770986
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3ccccc3)s2)cc1F
InChIInChI=1S/C15H12FN3OS/c1-20-13-8-7-10(9-12(13)16)14-18-19-15(21-14)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)
InChIKeyBVHBPHGRRKLQIQ-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine (CID 156770986) is 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine is COc1ccc(-c2nnc(Nc3ccccc3)s2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BVHBPHGRRKLQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-20-13-8-7-10(9-12(13)16)14-18-19-15(21-14)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 301.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 156770986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).