(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide

C22H20N4O6S — CID 26053619

IUPAC(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide
SMILESCc1nc(COc2ccccc2/C=C/C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C22H20N4O6S/c1-15-23-17(14-33-15)12-31-19-8-4-2-6-16(19)10-11-21(27)24-25-22(28)13-32-20-9-5-3-7-18(20)26(29)30/h2-11,14H,12-13H2,1H3,(H,24,27)(H,25,28)/b11-10+
InChIKeyUEZFNHZSHBABPV-ZHACJKMWSA-N
MW468.49 g/mol
LogP3.18
Rot. Bonds9

About (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide

(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide (PubChem CID 26053619) has the molecular formula C22H20N4O6S and a molecular weight of 468.49 g/mol. Its IUPAC name is (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide
PubChem CID26053619
Molecular FormulaC22H20N4O6S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC Name(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide
SMILESCc1nc(COc2ccccc2/C=C/C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C22H20N4O6S/c1-15-23-17(14-33-15)12-31-19-8-4-2-6-16(19)10-11-21(27)24-25-22(28)13-32-20-9-5-3-7-18(20)26(29)30/h2-11,14H,12-13H2,1H3,(H,24,27)(H,25,28)/b11-10+
InChIKeyUEZFNHZSHBABPV-ZHACJKMWSA-N
XLogP3.18
TPSA132.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoate
CID 43038610
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-(2,3,4,5,6-pentafluorophenyl)prop-2-enehydrazide
CID 26053287
(E)-N-(4-methylsulfonylphenyl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 43039021
(E)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 30861188
(E)-N-hexyl-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 46538160
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
CID 9470311
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 48532439
(E)-N-(4-fluoro-2-methylphenyl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24594483
methyl 3-[[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 24612144
(E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 55514740
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 108737244
(E)-N-(benzimidazol-1-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24669672

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide (CID 26053619) is (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide is Cc1nc(COc2ccccc2/C=C/C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is UEZFNHZSHBABPV-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H20N4O6S/c1-15-23-17(14-33-15)12-31-19-8-4-2-6-16(19)10-11-21(27)24-25-22(28)13-32-20-9-5-3-7-18(20)26(29)30/h2-11,14H,12-13H2,1H3,(H,24,27)(H,25,28)/b11-10+.
What are the key properties of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide?
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 468.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 26053619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).