5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine

C18H13FN4S2 — CID 138857607

IUPAC5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(-c2cccc(F)c2)sc1-c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C18H13FN4S2/c1-11-15(24-16(20-11)12-6-5-7-13(19)10-12)17-22-23-18(25-17)21-14-8-3-2-4-9-14/h2-10H,1H3,(H,21,23)
InChIKeySOZBDJVNSLLAMW-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.52
Rot. Bonds4

About 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine

5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 138857607) has the molecular formula C18H13FN4S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID138857607
Molecular FormulaC18H13FN4S2
Molecular Weight368.46 g/mol
Exact Mass368.06
IUPAC Name5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(-c2cccc(F)c2)sc1-c1nnc(Nc2ccccc2)s1
InChIInChI=1S/C18H13FN4S2/c1-11-15(24-16(20-11)12-6-5-7-13(19)10-12)17-22-23-18(25-17)21-14-8-3-2-4-9-14/h2-10H,1H3,(H,21,23)
InChIKeySOZBDJVNSLLAMW-UHFFFAOYSA-N
XLogP5.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine (CID 138857607) is 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine is Cc1nc(-c2cccc(F)c2)sc1-c1nnc(Nc2ccccc2)s1.
What is the InChIKey of 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SOZBDJVNSLLAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S2/c1-11-15(24-16(20-11)12-6-5-7-13(19)10-12)17-22-23-18(25-17)21-14-8-3-2-4-9-14/h2-10H,1H3,(H,21,23).
What are the key properties of 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 368.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 138857607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).