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

C9H8ClN3S — CID 106754395

IUPAC2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
SMILESCc1cc(-c2nnc(CCl)s2)ccn1
InChIInChI=1S/C9H8ClN3S/c1-6-4-7(2-3-11-6)9-13-12-8(5-10)14-9/h2-4H,5H2,1H3
InChIKeyIGVYIVMMGBEBFQ-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.65
Rot. Bonds2

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

2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole (PubChem CID 106754395) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
PubChem CID106754395
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
SMILESCc1cc(-c2nnc(CCl)s2)ccn1
InChIInChI=1S/C9H8ClN3S/c1-6-4-7(2-3-11-6)9-13-12-8(5-10)14-9/h2-4H,5H2,1H3
InChIKeyIGVYIVMMGBEBFQ-UHFFFAOYSA-N
XLogP2.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 106754424
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46229316
[5-methyl-2-(2-methyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 170067348
4-(chloromethyl)-2-methylpyridine
CID 12675262
2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 103406706
2-[[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158844804
2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
CID 106690457
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-(2-chloro-6-methyl-4-pyridinyl)-5-pentyl-1,3,4-thiadiazole
CID 58390933
5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396830
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112
2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 106752784

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole (CID 106754395) is 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole is Cc1cc(-c2nnc(CCl)s2)ccn1.
What is the InChIKey of 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is IGVYIVMMGBEBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-6-4-7(2-3-11-6)9-13-12-8(5-10)14-9/h2-4H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole?
2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 225.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 106754395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).