(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone

C8H8N4OS — CID 105100400

IUPAC(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)c1ccnn1C
InChIInChI=1S/C8H8N4OS/c1-5-8(14-11-10-5)7(13)6-3-4-9-12(6)2/h3-4H,1-2H3
InChIKeyMFQMEOSMKNVYNI-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.81
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone

(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 105100400) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID105100400
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)c1ccnn1C
InChIInChI=1S/C8H8N4OS/c1-5-8(14-11-10-5)7(13)6-3-4-9-12(6)2/h3-4H,1-2H3
InChIKeyMFQMEOSMKNVYNI-UHFFFAOYSA-N
XLogP0.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone (CID 105100400) is (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)c1ccnn1C.
What is the InChIKey of (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is MFQMEOSMKNVYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-8(14-11-10-5)7(13)6-3-4-9-12(6)2/h3-4H,1-2H3.
What are the key properties of (2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone?
(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 208.25 g/mol, XLogP of 0.81, 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)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105100400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).