N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine

C13H14Cl2N4S — CID 6188001

IUPACN-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine
SMILESCCN/C(C)=C/c1nsc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4S/c1-3-16-8(2)6-12-18-13(20-19-12)17-9-4-5-10(14)11(15)7-9/h4-7,16H,3H2,1-2H3,(H,17,18,19)/b8-6+
InChIKeyPFFYZOKEYAJNOS-SOFGYWHQSA-N
MW329.26 g/mol
LogP4.56
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine

N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine (PubChem CID 6188001) has the molecular formula C13H14Cl2N4S and a molecular weight of 329.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine
PubChem CID6188001
Molecular FormulaC13H14Cl2N4S
Molecular Weight329.26 g/mol
Exact Mass328.03
IUPAC NameN-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine
SMILESCCN/C(C)=C/c1nsc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4S/c1-3-16-8(2)6-12-18-13(20-19-12)17-9-4-5-10(14)11(15)7-9/h4-7,16H,3H2,1-2H3,(H,17,18,19)/b8-6+
InChIKeyPFFYZOKEYAJNOS-SOFGYWHQSA-N
XLogP4.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine (CID 6188001) is N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine is CCN/C(C)=C/c1nsc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PFFYZOKEYAJNOS-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H14Cl2N4S/c1-3-16-8(2)6-12-18-13(20-19-12)17-9-4-5-10(14)11(15)7-9/h4-7,16H,3H2,1-2H3,(H,17,18,19)/b8-6+.
What are the key properties of N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine?
N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 329.26 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(E)-2-(ethylamino)prop-1-enyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 6188001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).