5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C14H19FN4S — CID 80607718

IUPAC5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C14H19FN4S/c1-3-7-16-14-18-17-13(20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,18)
InChIKeyZDDMSNOVXOOOHM-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.13
Rot. Bonds7

About 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607718) has the molecular formula C14H19FN4S and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80607718
Molecular FormulaC14H19FN4S
Molecular Weight294.40 g/mol
Exact Mass294.13
IUPAC Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)Cc2cccc(F)c2)s1
InChIInChI=1S/C14H19FN4S/c1-3-7-16-14-18-17-13(20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,18)
InChIKeyZDDMSNOVXOOOHM-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606208
5-[[benzyl(propan-2-yl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80611385
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607357
5-[[2-ethoxyethyl(methyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 81074660
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680
5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606202
5-[(2,3-difluorophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614729
5-(4-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037154
N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617717

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80607718) is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(C)Cc2cccc(F)c2)s1.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZDDMSNOVXOOOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4S/c1-3-7-16-14-18-17-13(20-14)10-19(2)9-11-5-4-6-12(15)8-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 294.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).