3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

C14H13F3N4O4S — CID 29409962

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESCc1csc(=O)n1CCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13F3N4O4S/c1-8-7-26-13(23)20(8)5-4-12(22)19-18-10-3-2-9(14(15,16)17)6-11(10)21(24)25/h2-3,6-7,18H,4-5H2,1H3,(H,19,22)
InChIKeySNSVBVBMYZDGFZ-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.68
Rot. Bonds6

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 29409962) has the molecular formula C14H13F3N4O4S and a molecular weight of 390.34 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID29409962
Molecular FormulaC14H13F3N4O4S
Molecular Weight390.34 g/mol
Exact Mass390.06
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
SMILESCc1csc(=O)n1CCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13F3N4O4S/c1-8-7-26-13(23)20(8)5-4-12(22)19-18-10-3-2-9(14(15,16)17)6-11(10)21(24)25/h2-3,6-7,18H,4-5H2,1H3,(H,19,22)
InChIKeySNSVBVBMYZDGFZ-UHFFFAOYSA-N
XLogP2.68
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,5-dimethylthiophen-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-oxobutanehydrazide
CID 29409912
3-cyclopentyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409246
N-[4-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 29409622
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
3-(4-cyanophenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29409986
N-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 29409709
3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29408778
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409562
2-(2-methoxyphenoxy)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
CID 29409274
N-(2-amino-2-methylpropyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 119627954
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide (CID 29409962) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is Cc1csc(=O)n1CCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is SNSVBVBMYZDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O4S/c1-8-7-26-13(23)20(8)5-4-12(22)19-18-10-3-2-9(14(15,16)17)6-11(10)21(24)25/h2-3,6-7,18H,4-5H2,1H3,(H,19,22).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 390.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 29409962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).