(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one

C20H14Cl2N4OS — CID 136602565

IUPAC(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one
SMILESCC(=O)/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14Cl2N4OS/c1-11(27)19(14-9-23-17-5-3-2-4-13(14)17)25-26-20-24-18(10-28-20)12-6-7-15(21)16(22)8-12/h2-10,23H,1H3,(H,24,26)/b25-19+
InChIKeyGDKRZFJVCMYIQB-NCELDCMTSA-N
MW429.33 g/mol
LogP6.00
Rot. Bonds5

About (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one

(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one (PubChem CID 136602565) has the molecular formula C20H14Cl2N4OS and a molecular weight of 429.33 g/mol. Its IUPAC name is (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one
PubChem CID136602565
Molecular FormulaC20H14Cl2N4OS
Molecular Weight429.33 g/mol
Exact Mass428.03
IUPAC Name(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one
SMILESCC(=O)/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14Cl2N4OS/c1-11(27)19(14-9-23-17-5-3-2-4-13(14)17)25-26-20-24-18(10-28-20)12-6-7-15(21)16(22)8-12/h2-10,23H,1H3,(H,24,26)/b25-19+
InChIKeyGDKRZFJVCMYIQB-NCELDCMTSA-N
XLogP6.00
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-2-(1H-indol-3-yl)acetic acid
CID 140611605
(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid
CID 11668606
N'-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 4174177
(2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 118706350
4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 171983956
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606412
4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
CID 2788394
(2E)-3-(4-aminophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 118706349
4-(4-chlorophenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]-1,3-thiazol-2-amine
CID 90486882
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492923
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one?
The IUPAC name of (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one (CID 136602565) is (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one.
What is the SMILES notation for (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one?
The canonical SMILES for (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one is CC(=O)/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1c[nH]c2ccccc12.
What is the InChIKey of (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one?
The InChIKey is GDKRZFJVCMYIQB-NCELDCMTSA-N. The full InChI is InChI=1S/C20H14Cl2N4OS/c1-11(27)19(14-9-23-17-5-3-2-4-13(14)17)25-26-20-24-18(10-28-20)12-6-7-15(21)16(22)8-12/h2-10,23H,1H3,(H,24,26)/b25-19+.
What are the key properties of (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one?
(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one has a molecular weight of 429.33 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 136602565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).