pyridin-3-yl 4-methylthiadiazole-5-carboxylate

C9H7N3O2S — CID 3294080

IUPACpyridin-3-yl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Oc1cccnc1
InChIInChI=1S/C9H7N3O2S/c1-6-8(15-12-11-6)9(13)14-7-3-2-4-10-5-7/h2-5H,1H3
InChIKeyHMXHJKJBKBBSRU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.46
Rot. Bonds2

About pyridin-3-yl 4-methylthiadiazole-5-carboxylate

pyridin-3-yl 4-methylthiadiazole-5-carboxylate (PubChem CID 3294080) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is pyridin-3-yl 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-methylthiadiazole-5-carboxylate
PubChem CID3294080
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Namepyridin-3-yl 4-methylthiadiazole-5-carboxylate
SMILESCc1nnsc1C(=O)Oc1cccnc1
InChIInChI=1S/C9H7N3O2S/c1-6-8(15-12-11-6)9(13)14-7-3-2-4-10-5-7/h2-5H,1H3
InChIKeyHMXHJKJBKBBSRU-UHFFFAOYSA-N
XLogP1.46
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

naphthalen-2-yl 4-methylthiadiazole-5-carboxylate
CID 141234625
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
CID 117218877
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
(5,7-dibromoquinolin-8-yl) 4-methylthiadiazole-5-carboxylate
CID 50939883
butane;pyridin-3-yl carbamate
CID 69137647
phenyl 5-methylthiadiazole-4-carboxylate
CID 141237809
pyridin-3-yl 5-bromofuran-2-carboxylate
CID 5244119
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
5-(3-fluorophenoxy)carbonylthiadiazole-4-carboxylic acid
CID 117214763
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-methylthiadiazole-5-carboxylate?
The IUPAC name of pyridin-3-yl 4-methylthiadiazole-5-carboxylate (CID 3294080) is pyridin-3-yl 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for pyridin-3-yl 4-methylthiadiazole-5-carboxylate is Cc1nnsc1C(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl 4-methylthiadiazole-5-carboxylate?
The InChIKey is HMXHJKJBKBBSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c1-6-8(15-12-11-6)9(13)14-7-3-2-4-10-5-7/h2-5H,1H3.
What are the key properties of pyridin-3-yl 4-methylthiadiazole-5-carboxylate?
pyridin-3-yl 4-methylthiadiazole-5-carboxylate has a molecular weight of 221.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 3294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).