N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide

C20H17N5S — CID 58622473

IUPACN'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide
SMILESN/N=C(\N)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H17N5S/c21-20(25-22)18-10-16-17(11-23-12-19(16)26-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,22H2,(H2,21,25)
InChIKeyJWASJPXXJCTMTF-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.29
Rot. Bonds4

About N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide

N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide (PubChem CID 58622473) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide
PubChem CID58622473
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC NameN'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide
SMILESN/N=C(\N)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H17N5S/c21-20(25-22)18-10-16-17(11-23-12-19(16)26-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,22H2,(H2,21,25)
InChIKeyJWASJPXXJCTMTF-UHFFFAOYSA-N
XLogP4.29
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide?
The IUPAC name of N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide (CID 58622473) is N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide.
What is the SMILES notation for N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide?
The canonical SMILES for N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide is N/N=C(\N)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide?
The InChIKey is JWASJPXXJCTMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c21-20(25-22)18-10-16-17(11-23-12-19(16)26-18)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,22H2,(H2,21,25).
What are the key properties of N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide?
N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide has a molecular weight of 359.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboximidamide is sourced from PubChem (CID 58622473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).