5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

C10H9Cl2N3S2 — CID 2881592

IUPAC5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H9Cl2N3S2/c11-7-2-1-6(8(12)3-7)4-16-5-9-14-15-10(13)17-9/h1-3H,4-5H2,(H2,13,15)
InChIKeyRBWHAFPXHLGKNP-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.86
Rot. Bonds4

About 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 2881592) has the molecular formula C10H9Cl2N3S2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID2881592
Molecular FormulaC10H9Cl2N3S2
Molecular Weight306.24 g/mol
Exact Mass304.96
IUPAC Name5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H9Cl2N3S2/c11-7-2-1-6(8(12)3-7)4-16-5-9-14-15-10(13)17-9/h1-3H,4-5H2,(H2,13,15)
InChIKeyRBWHAFPXHLGKNP-UHFFFAOYSA-N
XLogP3.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 2881592) is 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RBWHAFPXHLGKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S2/c11-7-2-1-6(8(12)3-7)4-16-5-9-14-15-10(13)17-9/h1-3H,4-5H2,(H2,13,15).
What are the key properties of 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 306.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2881592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).