3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide

C19H19N3O2S2 — CID 8870172

IUPAC3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C(/C)c3ccc(C)s3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-11-4-9-16(25-11)12(2)21-22-19(23)18-15(20)10-17(26-18)13-5-7-14(24-3)8-6-13/h4-10H,20H2,1-3H3,(H,22,23)/b21-12-
InChIKeyWVTNBPADKPOGPM-MTJSOVHGSA-N
MW385.51 g/mol
LogP4.53
Rot. Bonds5

About 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide

3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 8870172) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
PubChem CID8870172
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C(/C)c3ccc(C)s3)s2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-11-4-9-16(25-11)12(2)21-22-19(23)18-15(20)10-17(26-18)13-5-7-14(24-3)8-6-13/h4-10H,20H2,1-3H3,(H,22,23)/b21-12-
InChIKeyWVTNBPADKPOGPM-MTJSOVHGSA-N
XLogP4.53
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.53
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'}

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Related Compounds

3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869800
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
N-(2-adamantylideneamino)-3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869859
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869912
3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869947
3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8870023
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
CID 9154377
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N'-[1-(5-methylthiophen-2-yl)ethylideneamino]oxamide
CID 5092659

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide (CID 8870172) is 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide is COc1ccc(-c2cc(N)c(C(=O)N/N=C(/C)c3ccc(C)s3)s2)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is WVTNBPADKPOGPM-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-11-4-9-16(25-11)12(2)21-22-19(23)18-15(20)10-17(26-18)13-5-7-14(24-3)8-6-13/h4-10H,20H2,1-3H3,(H,22,23)/b21-12-.
What are the key properties of 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide?
3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 8870172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).