methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate

C16H16N4O2S — CID 136822183

IUPACmethyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N/N=C\c2c(C)[nH]c3ccccc23)nc1C
InChIInChI=1S/C16H16N4O2S/c1-9-12(11-6-4-5-7-13(11)18-9)8-17-20-16-19-10(2)14(23-16)15(21)22-3/h4-8,18H,1-3H3,(H,19,20)/b17-8-
InChIKeyTZICVTUDGNVCLK-IUXPMGMMSA-N
MW328.40 g/mol
LogP3.47
Rot. Bonds4

About methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 136822183) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID136822183
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Namemethyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N/N=C\c2c(C)[nH]c3ccccc23)nc1C
InChIInChI=1S/C16H16N4O2S/c1-9-12(11-6-4-5-7-13(11)18-9)8-17-20-16-19-10(2)14(23-16)15(21)22-3/h4-8,18H,1-3H3,(H,19,20)/b17-8-
InChIKeyTZICVTUDGNVCLK-IUXPMGMMSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 42420688
methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
methyl 2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110536252
4-(2,4-dimethoxyphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781760
ethyl 2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3562990
2-(4-methoxyanilino)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136899315
methyl 2-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341087
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
methyl 2-[(2E)-2-[[4-(furan-2-carbonyloxy)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341125
ethyl 2-[(2Z)-2-[(4-ethoxycarbonylphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 124748851
3-chloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135559981

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate (CID 136822183) is methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N/N=C\c2c(C)[nH]c3ccccc23)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is TZICVTUDGNVCLK-IUXPMGMMSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-12(11-6-4-5-7-13(11)18-9)8-17-20-16-19-10(2)14(23-16)15(21)22-3/h4-8,18H,1-3H3,(H,19,20)/b17-8-.
What are the key properties of methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 328.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 136822183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).