5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine

C11H12FN3S — CID 61037154

IUPAC5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H12FN3S/c1-2-7-13-11-15-14-10(16-11)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyYNBILXJBHOGTJQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.17
Rot. Bonds4

About 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 61037154) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID61037154
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C11H12FN3S/c1-2-7-13-11-15-14-10(16-11)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyYNBILXJBHOGTJQ-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 5270660
4-[5-(propylamino)-1,3,4-thiadiazol-2-yl]benzaldehyde
CID 123397173
3-fluoro-5-[5-(propylamino)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 66423127
4-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylaniline
CID 165056406
N-[5-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59549747
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
N-[4-[[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]propane-2-sulfonamide
CID 70939895
N-[1-(4-fluorophenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618061
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
N-butyl-5-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 91468144

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 61037154) is 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YNBILXJBHOGTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-2-7-13-11-15-14-10(16-11)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 61037154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).