2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine

C15H21N5S — CID 166905326

IUPAC2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine
SMILES[H]/N=C/C=C(\N)c1cc2nc(N)cc(NC(CC)CC)c2s1
InChIInChI=1S/C15H21N5S/c1-3-9(4-2)19-12-8-14(18)20-11-7-13(21-15(11)12)10(17)5-6-16/h5-9,16H,3-4,17H2,1-2H3,(H3,18,19,20)/b10-5-,16-6+
InChIKeyGLCFENITOQOXAS-IHGRDSKKSA-N
MW303.44 g/mol
LogP3.43
Rot. Bonds6

About 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine

2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine (PubChem CID 166905326) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine
PubChem CID166905326
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine
SMILES[H]/N=C/C=C(\N)c1cc2nc(N)cc(NC(CC)CC)c2s1
InChIInChI=1S/C15H21N5S/c1-3-9(4-2)19-12-8-14(18)20-11-7-13(21-15(11)12)10(17)5-6-16/h5-9,16H,3-4,17H2,1-2H3,(H3,18,19,20)/b10-5-,16-6+
InChIKeyGLCFENITOQOXAS-IHGRDSKKSA-N
XLogP3.43
TPSA100.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 166905459
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785048
7-N-(1-methoxypropan-2-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785025
3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424063
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
2-(pentan-3-ylamino)benzenethiol
CID 13416430
4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine
CID 104757851
6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
CID 89039662
5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79026516
7-N-[2-[[amino(methyl)amino]methyl]but-3-enyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 166905401

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine (CID 166905326) is 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine is [H]/N=C/C=C(\N)c1cc2nc(N)cc(NC(CC)CC)c2s1.
What is the InChIKey of 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is GLCFENITOQOXAS-IHGRDSKKSA-N. The full InChI is InChI=1S/C15H21N5S/c1-3-9(4-2)19-12-8-14(18)20-11-7-13(21-15(11)12)10(17)5-6-16/h5-9,16H,3-4,17H2,1-2H3,(H3,18,19,20)/b10-5-,16-6+.
What are the key properties of 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine?
2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 303.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-3-iminoprop-1-enyl]-7-N-pentan-3-ylthieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 166905326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).