2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide

C16H11F3N4O4S — CID 30830165

IUPAC2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESCc1sc(-c2ccco2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H11F3N4O4S/c1-8-13(20-15(28-8)12-3-2-6-27-12)14(24)22-21-10-5-4-9(16(17,18)19)7-11(10)23(25)26/h2-7,21H,1H3,(H,22,24)
InChIKeyMJKSSBZLXZIGPN-UHFFFAOYSA-N
MW412.35 g/mol
LogP4.40
Rot. Bonds5

About 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide

2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 30830165) has the molecular formula C16H11F3N4O4S and a molecular weight of 412.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
PubChem CID30830165
Molecular FormulaC16H11F3N4O4S
Molecular Weight412.35 g/mol
Exact Mass412.05
IUPAC Name2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESCc1sc(-c2ccco2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H11F3N4O4S/c1-8-13(20-15(28-8)12-3-2-6-27-12)14(24)22-21-10-5-4-9(16(17,18)19)7-11(10)23(25)26/h2-7,21H,1H3,(H,22,24)
InChIKeyMJKSSBZLXZIGPN-UHFFFAOYSA-N
XLogP4.40
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.35
LogP ≤ 54.40
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

3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
CID 29409356
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
CID 30580944
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
CID 78869090
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
[1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 55567738

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide (CID 30830165) is 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide is Cc1sc(-c2ccco2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is MJKSSBZLXZIGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O4S/c1-8-13(20-15(28-8)12-3-2-6-27-12)14(24)22-21-10-5-4-9(16(17,18)19)7-11(10)23(25)26/h2-7,21H,1H3,(H,22,24).
What are the key properties of 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 412.35 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 30830165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).