N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C17H17N3O3S — CID 143151808

IUPACN-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
SMILES[H]/N=C/c1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C17H17N3O3S/c18-8-13-12-6-7-20(15(22)10-21)9-14(12)24-17(13)19-16(23)11-4-2-1-3-5-11/h1-5,8,18,21H,6-7,9-10H2,(H,19,23)/b18-8+
InChIKeyBIMNOTHWVXGNMX-QGMBQPNBSA-N
MW343.41 g/mol
LogP1.88
Rot. Bonds4

About N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 143151808) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
PubChem CID143151808
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
SMILES[H]/N=C/c1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)CO)C2
InChIInChI=1S/C17H17N3O3S/c18-8-13-12-6-7-20(15(22)10-21)9-14(12)24-17(13)19-16(23)11-4-2-1-3-5-11/h1-5,8,18,21H,6-7,9-10H2,(H,19,23)/b18-8+
InChIKeyBIMNOTHWVXGNMX-QGMBQPNBSA-N
XLogP1.88
TPSA93.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxypropyl 2-benzamido-3-(methyliminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 143151767
N-[3-cyano-6-[2-(2-methoxyethoxy)acetyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 11682743
(E)-N-[3-methanimidoyl-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 154546209
(E)-3-(2,3-dihydrofuran-2-yl)-N-[3-methanimidoyl-6-(2-pyridin-3-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]prop-2-enamide
CID 143148276
N-(3-formyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
CID 833794
N-[3-[(methylideneamino)methyl]-6-(2-pyridin-2-ylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 163547420
methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018196
N-[3-cyano-6-[3-(1,3-thiazol-2-yl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 11502714
methyl N-[2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4608252
N-(6-tert-butyl-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
CID 175072687
6-benzyl-2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3687608
ethyl 2-[[4-[bis(2-iminoethyl)sulfamoyl]benzoyl]amino]-3-(ethoxycarbonylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4124632

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?
The IUPAC name of N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 143151808) is N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.
What is the SMILES notation for N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?
The canonical SMILES for N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is [H]/N=C/c1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)CO)C2.
What is the InChIKey of N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?
The InChIKey is BIMNOTHWVXGNMX-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-8-13-12-6-7-20(15(22)10-21)9-14(12)24-17(13)19-16(23)11-4-2-1-3-5-11/h1-5,8,18,21H,6-7,9-10H2,(H,19,23)/b18-8+.
What are the key properties of N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?
N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 343.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyacetyl)-3-methanimidoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 143151808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).