2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

C8H6ClN3S — CID 135395773

IUPAC2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc(Cl)nc2)s1
InChIInChI=1S/C8H6ClN3S/c1-5-11-12-8(13-5)6-2-3-7(9)10-4-6/h2-4H,1H3
InChIKeySDOTYRYKIKBOCY-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.56
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole

2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 135395773) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
PubChem CID135395773
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc(Cl)nc2)s1
InChIInChI=1S/C8H6ClN3S/c1-5-11-12-8(13-5)6-2-3-7(9)10-4-6/h2-4H,1H3
InChIKeySDOTYRYKIKBOCY-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-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
5-(6-chloro-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396917
(2S,6R)-2,6-dimethyl-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridinyl]morpholine
CID 141223512
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
5-(5-chloro-1,3,4-thiadiazol-2-yl)pyridin-2-amine
CID 135396794
(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
CID 178138250
2-(6-chloro-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347543
5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 137287503
2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347506
N-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine
CID 142575126
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 129145085

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole (CID 135395773) is 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2ccc(Cl)nc2)s1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is SDOTYRYKIKBOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c1-5-11-12-8(13-5)6-2-3-7(9)10-4-6/h2-4H,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole?
2-(6-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-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 135395773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).