N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide

C18H15N5OS2 — CID 58708375

IUPACN-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=S)[nH]c3cccnc32)s1
InChIInChI=1S/C18H15N5OS2/c19-12-4-1-2-5-13(12)21-17(24)15-8-7-11(26-15)10-23-16-14(22-18(23)25)6-3-9-20-16/h1-9H,10,19H2,(H,21,24)(H,22,25)
InChIKeyPJMWMOMDOLJTKH-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.04
Rot. Bonds4

About N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 58708375) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID58708375
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC NameN-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=S)[nH]c3cccnc32)s1
InChIInChI=1S/C18H15N5OS2/c19-12-4-1-2-5-13(12)21-17(24)15-8-7-11(26-15)10-23-16-14(22-18(23)25)6-3-9-20-16/h1-9H,10,19H2,(H,21,24)(H,22,25)
InChIKeyPJMWMOMDOLJTKH-UHFFFAOYSA-N
XLogP4.04
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide (CID 58708375) is N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(Cn2c(=S)[nH]c3cccnc32)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is PJMWMOMDOLJTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c19-12-4-1-2-5-13(12)21-17(24)15-8-7-11(26-15)10-23-16-14(22-18(23)25)6-3-9-20-16/h1-9H,10,19H2,(H,21,24)(H,22,25).
What are the key properties of N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58708375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).