N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide

C13H11N3O2S — CID 70004595

IUPACN-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1
InChIInChI=1S/C13H11N3O2S/c1-14-12(18)10-6-9-8(5-7-3-2-4-15-7)11(17)16-13(9)19-10/h2-6,15H,1H3,(H,14,18)(H,16,17)
InChIKeyBYDJTPCHRBAPQL-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.93
Rot. Bonds2

About N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide

N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide (PubChem CID 70004595) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
PubChem CID70004595
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1
InChIInChI=1S/C13H11N3O2S/c1-14-12(18)10-6-9-8(5-7-3-2-4-15-7)11(17)16-13(9)19-10/h2-6,15H,1H3,(H,14,18)(H,16,17)
InChIKeyBYDJTPCHRBAPQL-UHFFFAOYSA-N
XLogP1.93
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxylate
CID 91334341
(4Z)-N-(2-methoxyethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 22976079
(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 59043157
5-oxo-N-(pyridin-2-ylmethyl)-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 74013405
N-(1,1-dioxothiolan-3-yl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 70003307
(4Z)-N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 22976072
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 70004445
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 70004145
2-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one
CID 70005997
tert-butyl 4-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-oxo-6H-thieno[2,3-b]pyrrole-2-carboxylate
CID 91308431
[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea
CID 141140540
4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoyl]benzamide
CID 140665474

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide (CID 70004595) is N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide is CNC(=O)c1cc2c(s1)NC(=O)C2=Cc1ccc[nH]1.
What is the InChIKey of N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
The InChIKey is BYDJTPCHRBAPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-14-12(18)10-6-9-8(5-7-3-2-4-15-7)11(17)16-13(9)19-10/h2-6,15H,1H3,(H,14,18)(H,16,17).
What are the key properties of N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide?
N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 70004595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).