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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Related Compounds

2-[[5-[5-[(1S,5R)-8-acetamido-3-azabicyclo[3.2.1]octan-3-yl]-1,3,4-thiadiazol-2-yl]-2-chloro-4-pyridinyl]amino]propanamide
CID 156514361
N-[3-[5-[6-chloro-4-[[(1R)-1-cyanoethyl]amino]-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 153459187
[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 121347800
2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251
2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine
CID 146382471
6-chloro-4-piperidin-1-ylpyridine-3-carbaldehyde
CID 115034801
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244
trans-methyl (1R,2R)-2-[5-[6-chloro-4-(oxetan-3-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxylate
CID 146382380
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
2-(2,5-dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377912
2-(chloromethyl)-5-piperidin-1-yl-1,3,4-thiadiazole
CID 168893320
2-chloro-5-ethenyl-N-methylpyridin-4-amine
CID 144806853

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).