1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine

C10H8Cl2FN3S — CID 65208944

IUPAC1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1snnc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2FN3S/c1-14-4-9-10(15-16-17-9)5-2-8(13)7(12)3-6(5)11/h2-3,14H,4H2,1H3
InChIKeyLABIWUZUFGSIOA-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine

1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine (PubChem CID 65208944) has the molecular formula C10H8Cl2FN3S and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
PubChem CID65208944
Molecular FormulaC10H8Cl2FN3S
Molecular Weight292.17 g/mol
Exact Mass290.98
IUPAC Name1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1snnc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2FN3S/c1-14-4-9-10(15-16-17-9)5-2-8(13)7(12)3-6(5)11/h2-3,14H,4H2,1H3
InChIKeyLABIWUZUFGSIOA-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine
CID 25189824
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189555
(1R)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189556
(1S)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189557
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]pentan-1-amine
CID 25189623
2-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
CID 57659806
(1S)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]pentan-1-amine
CID 130290785
(2E,4Z,6Z)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]octa-2,4,6-trien-1-amine
CID 135225016
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 25189625
1-[4-(3-chloro-4-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
CID 65208945
N-[[4-(2-chloro-4-fluorophenyl)thiadiazol-5-yl]methyl]propan-1-amine
CID 65208950
N-[[4-(2-chloro-4-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine (CID 65208944) is 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine is CNCc1snnc1-c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The InChIKey is LABIWUZUFGSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3S/c1-14-4-9-10(15-16-17-9)5-2-8(13)7(12)3-6(5)11/h2-3,14H,4H2,1H3.
What are the key properties of 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine has a molecular weight of 292.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65208944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).