5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine

C14H19ClN4S — CID 103055827

IUPAC5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN(C)Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C14H19ClN4S/c1-3-6-16-14-8-17-11(7-18-14)9-19(2)10-12-4-5-13(15)20-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyZYZURMGDSPSQLV-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.65
Rot. Bonds7

About 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine

5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine (PubChem CID 103055827) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
PubChem CID103055827
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN(C)Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C14H19ClN4S/c1-3-6-16-14-8-17-11(7-18-14)9-19(2)10-12-4-5-13(15)20-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,18)
InChIKeyZYZURMGDSPSQLV-UHFFFAOYSA-N
XLogP3.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine 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

5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
2-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]acetamide
CID 103055637
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
N-ethyl-5-[[ethyl(methyl)amino]methyl]pyrazin-2-amine
CID 103055585
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine (CID 103055827) is 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CN(C)Cc2ccc(Cl)s2)cn1.
What is the InChIKey of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine?
The InChIKey is ZYZURMGDSPSQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-3-6-16-14-8-17-11(7-18-14)9-19(2)10-12-4-5-13(15)20-12/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine?
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103055827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).