2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine

C13H16ClN5S — CID 175936917

IUPAC2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine
SMILESCNc1cc(Cl)ncc1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C13H16ClN5S/c1-15-10-7-11(14)16-8-9(10)12-17-18-13(20-12)19-5-3-2-4-6-19/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyOJYPQCRGOJNDNS-UHFFFAOYSA-N
MW309.83 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine

2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine (PubChem CID 175936917) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine
PubChem CID175936917
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine
SMILESCNc1cc(Cl)ncc1-c1nnc(N2CCCCC2)s1
InChIInChI=1S/C13H16ClN5S/c1-15-10-7-11(14)16-8-9(10)12-17-18-13(20-12)19-5-3-2-4-6-19/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyOJYPQCRGOJNDNS-UHFFFAOYSA-N
XLogP3.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine (CID 175936917) is 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine is CNc1cc(Cl)ncc1-c1nnc(N2CCCCC2)s1.
What is the InChIKey of 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine?
The InChIKey is OJYPQCRGOJNDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-15-10-7-11(14)16-8-9(10)12-17-18-13(20-12)19-5-3-2-4-6-19/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine?
2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine has a molecular weight of 309.83 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyridin-4-amine is sourced from PubChem (CID 175936917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).