4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol

C8H9ClN4O2S — CID 174975485

IUPAC4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol
SMILESCc1nnsc1C(=O)Cl.OCc1ccn[nH]1
InChIInChI=1S/C4H3ClN2OS.C4H6N2O/c1-2-3(4(5)8)9-7-6-2;7-3-4-1-2-5-6-4/h1H3;1-2,7H,3H2,(H,5,6)
InChIKeyJWYQWSDZIDRICD-UHFFFAOYSA-N
MW260.71 g/mol
LogP1.13
Rot. Bonds2

About 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol

4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol (PubChem CID 174975485) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol.

Molecular Properties

Compound Name4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol
PubChem CID174975485
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol
SMILESCc1nnsc1C(=O)Cl.OCc1ccn[nH]1
InChIInChI=1S/C4H3ClN2OS.C4H6N2O/c1-2-3(4(5)8)9-7-6-2;7-3-4-1-2-5-6-4/h1H3;1-2,7H,3H2,(H,5,6)
InChIKeyJWYQWSDZIDRICD-UHFFFAOYSA-N
XLogP1.13
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methylthiadiazole-5-carbonyl chloride;4-(4-methylthiadiazole-5-carbonyl)oxybut-2-ynyl 4-methylthiadiazole-5-carboxylate
CID 157407185
prop-2-yn-1-ol;1H-pyrazol-5-ylmethanol
CID 158434279
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
[2-(4-chlorophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576813
2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 107311606
2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105079495
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
2-bromo-1-(4-methylthiadiazol-5-yl)ethanone;hydrobromide
CID 23003557
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154

Frequently Asked Questions

What is the IUPAC name of 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol?
The IUPAC name of 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol (CID 174975485) is 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol.
What is the SMILES notation for 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol?
The canonical SMILES for 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol is Cc1nnsc1C(=O)Cl.OCc1ccn[nH]1.
What is the InChIKey of 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol?
The InChIKey is JWYQWSDZIDRICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2OS.C4H6N2O/c1-2-3(4(5)8)9-7-6-2;7-3-4-1-2-5-6-4/h1H3;1-2,7H,3H2,(H,5,6).
What are the key properties of 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol?
4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol has a molecular weight of 260.71 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiadiazole-5-carbonyl chloride;1H-pyrazol-5-ylmethanol is sourced from PubChem (CID 174975485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).