2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide

C19H17Cl2N5O3S — CID 5339960

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N5O3S/c1-28-16-6-11(9-23-24-17(27)8-18-25-26-19(22)30-18)2-5-15(16)29-10-12-3-4-13(20)7-14(12)21/h2-7,9H,8,10H2,1H3,(H2,22,26)(H,24,27)/b23-9+
InChIKeyVWELLWOJZMVTLR-NUGSKGIGSA-N
MW466.35 g/mol
LogP3.71
Rot. Bonds8

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide (PubChem CID 5339960) has the molecular formula C19H17Cl2N5O3S and a molecular weight of 466.35 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
PubChem CID5339960
Molecular FormulaC19H17Cl2N5O3S
Molecular Weight466.35 g/mol
Exact Mass465.04
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N5O3S/c1-28-16-6-11(9-23-24-17(27)8-18-25-26-19(22)30-18)2-5-15(16)29-10-12-3-4-13(20)7-14(12)21/h2-7,9H,8,10H2,1H3,(H2,22,26)(H,24,27)/b23-9+
InChIKeyVWELLWOJZMVTLR-NUGSKGIGSA-N
XLogP3.71
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 44537677
[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 6894192
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 6862608
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126370458
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126368958
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124553151
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]acetamide
CID 19204448
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 3742199
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1410288
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 126186145

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide (CID 5339960) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide is COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
The InChIKey is VWELLWOJZMVTLR-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3S/c1-28-16-6-11(9-23-24-17(27)8-18-25-26-19(22)30-18)2-5-15(16)29-10-12-3-4-13(20)7-14(12)21/h2-7,9H,8,10H2,1H3,(H2,22,26)(H,24,27)/b23-9+.
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide has a molecular weight of 466.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 5339960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).