1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine

C11H10ClN3S — CID 71410979

IUPAC1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
SMILESCC(N)=Cc1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C11H10ClN3S/c1-7(13)6-10-14-11(15-16-10)8-2-4-9(12)5-3-8/h2-6H,13H2,1H3
InChIKeyDEDUCDQJCYBZPO-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.18
Rot. Bonds2

About 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine

1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine (PubChem CID 71410979) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
PubChem CID71410979
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
SMILESCC(N)=Cc1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C11H10ClN3S/c1-7(13)6-10-14-11(15-16-10)8-2-4-9(12)5-3-8/h2-6H,13H2,1H3
InChIKeyDEDUCDQJCYBZPO-UHFFFAOYSA-N
XLogP3.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine (CID 71410979) is 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine is CC(N)=Cc1nc(-c2ccc(Cl)cc2)ns1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine?
The InChIKey is DEDUCDQJCYBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-7(13)6-10-14-11(15-16-10)8-2-4-9(12)5-3-8/h2-6H,13H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine?
1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine has a molecular weight of 251.74 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine is sourced from PubChem (CID 71410979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).