2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

C8H6ClN3S — CID 137347506

IUPAC2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cccnc2Cl)s1
InChIInChI=1S/C8H6ClN3S/c1-5-11-12-8(13-5)6-3-2-4-10-7(6)9/h2-4H,1H3
InChIKeyYXCOHZZNZFLVEA-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.56
Rot. Bonds1

About 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 137347506) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
PubChem CID137347506
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cccnc2Cl)s1
InChIInChI=1S/C8H6ClN3S/c1-5-11-12-8(13-5)6-3-2-4-10-7(6)9/h2-4H,1H3
InChIKeyYXCOHZZNZFLVEA-UHFFFAOYSA-N
XLogP2.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
CID 135396419
2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridin-3-ol
CID 137314735
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
CID 97058354
4-chloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
CID 82473523
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
[2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl]methanol
CID 56702750
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
CID 112547307
2-(6-chloro-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347543
6-(2-chloro-3-pyridinyl)-2-methylimidazo[1,2-a]pyridine
CID 90095843
2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
CID 23346364
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (CID 137347506) is 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2cccnc2Cl)s1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is YXCOHZZNZFLVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c1-5-11-12-8(13-5)6-3-2-4-10-7(6)9/h2-4H,1H3.
What are the key properties of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 211.68 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 137347506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).