5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine

C11H13ClN4S2 — CID 55127461

IUPAC5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2nncs2)n1
InChIInChI=1S/C11H13ClN4S2/c1-2-5-13-10-4-3-8(12)9(15-10)6-17-11-16-14-7-18-11/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyHHXYRLMKRODFFK-UHFFFAOYSA-N
MW300.84 g/mol
LogP3.70
Rot. Bonds6

About 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine

5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 55127461) has the molecular formula C11H13ClN4S2 and a molecular weight of 300.84 g/mol. Its IUPAC name is 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID55127461
Molecular FormulaC11H13ClN4S2
Molecular Weight300.84 g/mol
Exact Mass300.03
IUPAC Name5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2nncs2)n1
InChIInChI=1S/C11H13ClN4S2/c1-2-5-13-10-4-3-8(12)9(15-10)6-17-11-16-14-7-18-11/h3-4,7H,2,5-6H2,1H3,(H,13,15)
InChIKeyHHXYRLMKRODFFK-UHFFFAOYSA-N
XLogP3.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine (CID 55127461) is 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine is CCCNc1ccc(Cl)c(CSc2nncs2)n1.
What is the InChIKey of 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is HHXYRLMKRODFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S2/c1-2-5-13-10-4-3-8(12)9(15-10)6-17-11-16-14-7-18-11/h3-4,7H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine?
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 300.84 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 55127461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).