pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

C17H15N3O2S — CID 89183253

IUPACpyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCc1ccccn1
InChIInChI=1S/C17H15N3O2S/c18-14-7-6-12(16-5-3-9-23-16)10-15(14)20-17(21)22-11-13-4-1-2-8-19-13/h1-10H,11,18H2,(H,20,21)
InChIKeyWPYRPKNNPHWRGL-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.14
Rot. Bonds4

About pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate

pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (PubChem CID 89183253) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
PubChem CID89183253
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Namepyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
SMILESNc1ccc(-c2cccs2)cc1NC(=O)OCc1ccccn1
InChIInChI=1S/C17H15N3O2S/c18-14-7-6-12(16-5-3-9-23-16)10-15(14)20-17(21)22-11-13-4-1-2-8-19-13/h1-10H,11,18H2,(H,20,21)
InChIKeyWPYRPKNNPHWRGL-UHFFFAOYSA-N
XLogP4.14
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
cyclopropylidenemethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 175831101
(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 71465770
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
CID 59737518
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide
CID 150946736
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777
bis[[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy]-oxophosphanium
CID 69000333
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The IUPAC name of pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate (CID 89183253) is pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is Nc1ccc(-c2cccs2)cc1NC(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
The InChIKey is WPYRPKNNPHWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c18-14-7-6-12(16-5-3-9-23-16)10-15(14)20-17(21)22-11-13-4-1-2-8-19-13/h1-10H,11,18H2,(H,20,21).
What are the key properties of pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate?
pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate has a molecular weight of 325.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate is sourced from PubChem (CID 89183253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).