ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate

C20H20N4O2S — CID 5337641

IUPACethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N\Nc1ccccc1)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H20N4O2S/c1-3-26-19(25)18(24-23-16-7-5-4-6-8-16)17-13-27-20(22-17)21-15-11-9-14(2)10-12-15/h4-13,23H,3H2,1-2H3,(H,21,22)/b24-18-
InChIKeyIBMOVHOVJBNVIH-MOHJPFBDSA-N
MW380.47 g/mol
LogP4.57
Rot. Bonds7

About ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate

ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate (PubChem CID 5337641) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate
PubChem CID5337641
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Nameethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N\Nc1ccccc1)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H20N4O2S/c1-3-26-19(25)18(24-23-16-7-5-4-6-8-16)17-13-27-20(22-17)21-15-11-9-14(2)10-12-15/h4-13,23H,3H2,1-2H3,(H,21,22)/b24-18-
InChIKeyIBMOVHOVJBNVIH-MOHJPFBDSA-N
XLogP4.57
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
2-[(4-Isopropylphenylamino)thiazol-4-yl]acetic acid
CID 7066096
(2-{2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazol-4-yl)-acetic acid ethyl ester
CID 3195168
2-(2-Anilino-4-thiazolyl)-2-[(4-chlorophenyl)hydrazinylidene]acetic acid ethyl ester
CID 6270682
Ethyl [(4-acetylphenyl)hydrazono](2-anilino-1,3-thiazol-4-yl)acetate
CID 9725732
2-[2-(4-Tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 80575484
2-[2-(4-Butan-2-ylanilino)-1,3-thiazol-4-yl]acetic acid
CID 137648031
2-[2-(4-Butylanilino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 137648577
2-[2-(4-Butylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 137659302
(Z)-ethyl 2-(2-(2-(4-(dimethylamino)benzylidene)hydrazinyl)thiazol-4-yl)acetate
CID 5348412
Ethyl (Z)-alpha-(methoxyimino)-2-(tritylamino)thiazol-4-acetate
CID 6005279

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate?
The IUPAC name of ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate (CID 5337641) is ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate is CCOC(=O)/C(=N\Nc1ccccc1)c1csc(Nc2ccc(C)cc2)n1.
What is the InChIKey of ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate?
The InChIKey is IBMOVHOVJBNVIH-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-26-19(25)18(24-23-16-7-5-4-6-8-16)17-13-27-20(22-17)21-15-11-9-14(2)10-12-15/h4-13,23H,3H2,1-2H3,(H,21,22)/b24-18-.
What are the key properties of ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate?
ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate has a molecular weight of 380.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[2-(4-methylanilino)-1,3-thiazol-4-yl]-2-(phenylhydrazinylidene)acetate is sourced from PubChem (CID 5337641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).