3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide

C14H11N3OS2 — CID 1481267

IUPAC3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=Cc1cccs1)c1sccc1-n1cccc1
InChIInChI=1S/C14H11N3OS2/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18)
InChIKeyVLIXWSAXCYRWFX-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.36
Rot. Bonds4

About 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide

3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide (PubChem CID 1481267) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide
PubChem CID1481267
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC Name3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=Cc1cccs1)c1sccc1-n1cccc1
InChIInChI=1S/C14H11N3OS2/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18)
InChIKeyVLIXWSAXCYRWFX-UHFFFAOYSA-N
XLogP3.36
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
N-(furan-2-ylmethylideneamino)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 1481266
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
4-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 5335033
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 11000179
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide?
The IUPAC name of 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide (CID 1481267) is 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide?
The canonical SMILES for 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide is O=C(NN=Cc1cccs1)c1sccc1-n1cccc1.
What is the InChIKey of 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide?
The InChIKey is VLIXWSAXCYRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-14(16-15-10-11-4-3-8-19-11)13-12(5-9-20-13)17-6-1-2-7-17/h1-10H,(H,16,18).
What are the key properties of 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide?
3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 1481267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).