4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole

C11H14N4O2S — CID 75437926

IUPAC4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCn2nc(C)c([N+](=O)[O-])c2C)cs1
InChIInChI=1S/C11H14N4O2S/c1-7-11(15(16)17)8(2)14(13-7)5-4-10-6-18-9(3)12-10/h6H,4-5H2,1-3H3
InChIKeyCFQMBFASNGFUSX-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.42
Rot. Bonds4

About 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole

4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole (PubChem CID 75437926) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole
PubChem CID75437926
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCn2nc(C)c([N+](=O)[O-])c2C)cs1
InChIInChI=1S/C11H14N4O2S/c1-7-11(15(16)17)8(2)14(13-7)5-4-10-6-18-9(3)12-10/h6H,4-5H2,1-3H3
InChIKeyCFQMBFASNGFUSX-UHFFFAOYSA-N
XLogP2.42
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.42
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

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664486
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
CID 4137846
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-amine
CID 102689139
2-[2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 16962062
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetaldehyde
CID 45157282
1-[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856305
1-[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863792
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2528589
5-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18201628
2-(5-bromo-2-methoxyphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole
CID 18226999
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 4775536

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole (CID 75437926) is 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCn2nc(C)c([N+](=O)[O-])c2C)cs1.
What is the InChIKey of 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole?
The InChIKey is CFQMBFASNGFUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-11(15(16)17)8(2)14(13-7)5-4-10-6-18-9(3)12-10/h6H,4-5H2,1-3H3.
What are the key properties of 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole?
4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole has a molecular weight of 266.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 75437926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).