(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone

C7H6N4OS — CID 105100351

IUPAC(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1cnsn1
InChIInChI=1S/C7H6N4OS/c1-11-6(2-3-8-11)7(12)5-4-9-13-10-5/h2-4H,1H3
InChIKeyQRDUHWHSFDCDDL-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.50
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone

(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 105100351) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID105100351
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1cnsn1
InChIInChI=1S/C7H6N4OS/c1-11-6(2-3-8-11)7(12)5-4-9-13-10-5/h2-4H,1H3
InChIKeyQRDUHWHSFDCDDL-UHFFFAOYSA-N
XLogP0.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479
(3-methylimidazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 82895472
(6-amino-2-pyridinyl)-(2-methylpyrazol-3-yl)methanone
CID 130877788
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone
CID 105100400
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636
(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 114972600
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 105100351) is (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone is Cn1nccc1C(=O)c1cnsn1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is QRDUHWHSFDCDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c1-11-6(2-3-8-11)7(12)5-4-9-13-10-5/h2-4H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 194.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 105100351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).