5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C10H11ClN4S2 — CID 80613353

IUPAC5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2ccc(Cl)cn2)s1
InChIInChI=1S/C10H11ClN4S2/c1-2-12-10-15-14-9(17-10)6-16-8-4-3-7(11)5-13-8/h3-5H,2,6H2,1H3,(H,12,15)
InChIKeyAWKUYMFNLZPYBY-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.31
Rot. Bonds5

About 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80613353) has the molecular formula C10H11ClN4S2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80613353
Molecular FormulaC10H11ClN4S2
Molecular Weight286.81 g/mol
Exact Mass286.01
IUPAC Name5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2ccc(Cl)cn2)s1
InChIInChI=1S/C10H11ClN4S2/c1-2-12-10-15-14-9(17-10)6-16-8-4-3-7(11)5-13-8/h3-5H,2,6H2,1H3,(H,12,15)
InChIKeyAWKUYMFNLZPYBY-UHFFFAOYSA-N
XLogP3.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80613353) is 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSc2ccc(Cl)cn2)s1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AWKUYMFNLZPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S2/c1-2-12-10-15-14-9(17-10)6-16-8-4-3-7(11)5-13-8/h3-5H,2,6H2,1H3,(H,12,15).
What are the key properties of 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.81 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).