5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide

C20H28N8O2S2 — CID 143460709

IUPAC5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide
SMILESC=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)c(S(=O)(=O)N(C)C)s2)/c1=N\C
InChIInChI=1S/C20H28N8O2S2/c1-13-9-17(31-20(13)32(29,30)26(4)5)25-18-19(22-3)28(12-16(24-18)7-8-21)14(2)15-10-23-27(6)11-15/h9-12H,2,7-8,21H2,1,3-6H3,(H,24,25)/b22-19+
InChIKeyGTAKCSTXAKYHBI-ZBJSNUHESA-N
MW476.63 g/mol
LogP1.53
Rot. Bonds8

About 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide

5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide (PubChem CID 143460709) has the molecular formula C20H28N8O2S2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide
PubChem CID143460709
Molecular FormulaC20H28N8O2S2
Molecular Weight476.63 g/mol
Exact Mass476.18
IUPAC Name5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide
SMILESC=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)c(S(=O)(=O)N(C)C)s2)/c1=N\C
InChIInChI=1S/C20H28N8O2S2/c1-13-9-17(31-20(13)32(29,30)26(4)5)25-18-19(22-3)28(12-16(24-18)7-8-21)14(2)15-10-23-27(6)11-15/h9-12H,2,7-8,21H2,1,3-6H3,(H,24,25)/b22-19+
InChIKeyGTAKCSTXAKYHBI-ZBJSNUHESA-N
XLogP1.53
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide (CID 143460709) is 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide is C=C(c1cnn(C)c1)n1cc(CCN)nc(Nc2cc(C)c(S(=O)(=O)N(C)C)s2)/c1=N\C.
What is the InChIKey of 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide?
The InChIKey is GTAKCSTXAKYHBI-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H28N8O2S2/c1-13-9-17(31-20(13)32(29,30)26(4)5)25-18-19(22-3)28(12-16(24-18)7-8-21)14(2)15-10-23-27(6)11-15/h9-12H,2,7-8,21H2,1,3-6H3,(H,24,25)/b22-19+.
What are the key properties of 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide?
5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide has a molecular weight of 476.63 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-aminoethyl)-3-methylimino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-N,N,3-trimethylthiophene-2-sulfonamide is sourced from PubChem (CID 143460709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).