4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide

C8H8N6OS2 — CID 90690649

IUPAC4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C#N.Cc1nnsc1C(N)=O
InChIInChI=1S/C4H5N3OS.C4H3N3S/c1-2-3(4(5)8)9-7-6-2;1-3-4(2-5)8-7-6-3/h1H3,(H2,5,8);1H3
InChIKeyNYICWXQGGFXFEC-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.66
Rot. Bonds1

About 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide

4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide (PubChem CID 90690649) has the molecular formula C8H8N6OS2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide
PubChem CID90690649
Molecular FormulaC8H8N6OS2
Molecular Weight268.33 g/mol
Exact Mass268.02
IUPAC Name4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C#N.Cc1nnsc1C(N)=O
InChIInChI=1S/C4H5N3OS.C4H3N3S/c1-2-3(4(5)8)9-7-6-2;1-3-4(2-5)8-7-6-3/h1H3,(H2,5,8);1H3
InChIKeyNYICWXQGGFXFEC-UHFFFAOYSA-N
XLogP0.66
TPSA118.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
1-(4-methylthiadiazol-5-yl)prop-2-yn-1-one
CID 105108161
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
4-methylthiadiazole-5-carboxylic acid;1-(4-methylthiadiazol-5-yl)ethanone
CID 91578919
2-bromo-1-(4-methylthiadiazol-5-yl)ethanone;hydrobromide
CID 23003557
3-chloro-4-cyano-1,2-thiazole-5-carboxamide
CID 54212733
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-ethylthiadiazole-5-carboxamide
CID 45084470
4-methylthiadiazole-5-carbonyl chloride;4-(4-methylthiadiazole-5-carbonyl)oxybut-2-ynyl 4-methylthiadiazole-5-carboxylate
CID 157407185
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate
CID 20701446
N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 166292864

Frequently Asked Questions

What is the IUPAC name of 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide (CID 90690649) is 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide is Cc1nnsc1C#N.Cc1nnsc1C(N)=O.
What is the InChIKey of 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide?
The InChIKey is NYICWXQGGFXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS.C4H3N3S/c1-2-3(4(5)8)9-7-6-2;1-3-4(2-5)8-7-6-3/h1H3,(H2,5,8);1H3.
What are the key properties of 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide?
4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide has a molecular weight of 268.33 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 90690649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).