2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole

C7H6N4O2S — CID 102771949

IUPAC2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole
SMILESCc1ccn(-c2ncc([N+](=O)[O-])s2)n1
InChIInChI=1S/C7H6N4O2S/c1-5-2-3-10(9-5)7-8-4-6(14-7)11(12)13/h2-4H,1H3
InChIKeyASTSZNINYIDHRD-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.55
Rot. Bonds2

About 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole

2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole (PubChem CID 102771949) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole
PubChem CID102771949
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole
SMILESCc1ccn(-c2ncc([N+](=O)[O-])s2)n1
InChIInChI=1S/C7H6N4O2S/c1-5-2-3-10(9-5)7-8-4-6(14-7)11(12)13/h2-4H,1H3
InChIKeyASTSZNINYIDHRD-UHFFFAOYSA-N
XLogP1.55
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740
2-(1,3-Dimethyl-4-nitropyrazol-5-yl)sulfanylpyrimidine
CID 2806087
2-[5-Chloro-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 82880390
2-[5-Chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]-1,3-thiazole
CID 82880803
2-[3-(Trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-5-amine
CID 102769189
5-Nitro-2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,3-thiazole
CID 121542934
5-nitro-2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,3-thiazole
CID 124624420
5-nitro-2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,3-thiazole
CID 124624421
4-Chloro-2-(3-methyl-1-pyrazolyl)-5-nitrothiazole
CID 19980553
5-Methyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 82880797
2-(5-Methylpyrazol-1-yl)-1,3-thiazole
CID 82881443
5-Methyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole
CID 173589741

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole (CID 102771949) is 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole is Cc1ccn(-c2ncc([N+](=O)[O-])s2)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole?
The InChIKey is ASTSZNINYIDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c1-5-2-3-10(9-5)7-8-4-6(14-7)11(12)13/h2-4H,1H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole?
2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole has a molecular weight of 210.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-5-nitro-1,3-thiazole is sourced from PubChem (CID 102771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).