4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine

C11H12ClN3S2 — CID 62188904

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3S2/c1-2-13-11-10(14-15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6,13H,2,7H2,1H3
InChIKeyYUVLYKSBQRSCBG-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.92
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine

4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine (PubChem CID 62188904) has the molecular formula C11H12ClN3S2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
PubChem CID62188904
Molecular FormulaC11H12ClN3S2
Molecular Weight285.82 g/mol
Exact Mass285.02
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3S2/c1-2-13-11-10(14-15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6,13H,2,7H2,1H3
InChIKeyYUVLYKSBQRSCBG-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine (CID 62188904) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CSc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The InChIKey is YUVLYKSBQRSCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S2/c1-2-13-11-10(14-15-17-11)7-16-9-5-3-8(12)4-6-9/h3-6,13H,2,7H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine?
4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine has a molecular weight of 285.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62188904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).