N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C14H17N5OS — CID 51084885

IUPACN-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCc2sccc2C1
InChIInChI=1S/C14H17N5OS/c20-14(18-7-6-17-13-15-4-1-5-16-13)19-8-2-12-11(10-19)3-9-21-12/h1,3-5,9H,2,6-8,10H2,(H,18,20)(H,15,16,17)
InChIKeyUQLCVAOBXSCGDO-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 51084885) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID51084885
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCc2sccc2C1
InChIInChI=1S/C14H17N5OS/c20-14(18-7-6-17-13-15-4-1-5-16-13)19-8-2-12-11(10-19)3-9-21-12/h1,3-5,9H,2,6-8,10H2,(H,18,20)(H,15,16,17)
InChIKeyUQLCVAOBXSCGDO-UHFFFAOYSA-N
XLogP1.72
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide 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

N-(3-acetamidopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51077213
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60569928
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
N-[2-(4-pyrazol-1-ylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 16608941
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
N-[2-(1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144627
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 62171689
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-methylpropanoic acid
CID 61264376
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(isoquinolin-1-yl)methanone
CID 47084025
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
CID 81072300

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 51084885) is N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCCNc1ncccn1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is UQLCVAOBXSCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-14(18-7-6-17-13-15-4-1-5-16-13)19-8-2-12-11(10-19)3-9-21-12/h1,3-5,9H,2,6-8,10H2,(H,18,20)(H,15,16,17).
What are the key properties of N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 51084885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).