Imidazothienopyrazine, 14e

Name: Imidazothienopyrazine, 14e — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₉N₅OS — CID 25093439

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[3-[8-(2-aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl]methanol

SMILESCc1cnc2c(NCCN)nc3cc(-c4cccc(CO)c4)sc3n12

InChIInChI=1S/C18H19N5OS/c1-11-9-21-17-16(20-6-5-19)22-14-8-15(25-18(14)23(11)17)13-4-2-3-12(7-13)10-24/h2-4,7-9,24H,5-6,10,19H2,1H3,(H,20,22)

InChIKeyVBFOQJUDSYRBDR-UHFFFAOYSA-N

MW353.45 g/mol

LogP2.78

Rot. Bonds5

About Imidazothienopyrazine, 14e

Imidazothienopyrazine, 14e (PubChem CID 25093439) has the molecular formula C₁₈H₁₉N₅OS and a molecular weight of 353.45 g/mol. Its IUPAC name is [3-[8-(2-aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl]methanol.

Molecular Properties

Compound Name	Imidazothienopyrazine, 14e
PubChem CID	25093439
Molecular Formula	C₁₈H₁₉N₅OS
Molecular Weight	353.45 g/mol
Exact Mass	353.13
IUPAC Name	[3-[8-(2-aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl]methanol
SMILES	Cc1cnc2c(NCCN)nc3cc(-c4cccc(CO)c4)sc3n12
InChI	InChI=1S/C18H19N5OS/c1-11-9-21-17-16(20-6-5-19)22-14-8-15(25-18(14)23(11)17)13-4-2-3-12(7-13)10-24/h2-4,7-9,24H,5-6,10,19H2,1H3,(H,20,22)
InChIKey	VBFOQJUDSYRBDR-UHFFFAOYSA-N
XLogP	2.78
TPSA	88.47 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.45
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Imidazothienopyrazine, 14e?

The IUPAC name of Imidazothienopyrazine, 14e (CID 25093439) is [3-[8-(2-aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl]methanol.

What is the SMILES notation for Imidazothienopyrazine, 14e?

The canonical SMILES for Imidazothienopyrazine, 14e is Cc1cnc2c(NCCN)nc3cc(-c4cccc(CO)c4)sc3n12.

What is the InChIKey of Imidazothienopyrazine, 14e?

The InChIKey is VBFOQJUDSYRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-9-21-17-16(20-6-5-19)22-14-8-15(25-18(14)23(11)17)13-4-2-3-12(7-13)10-24/h2-4,7-9,24H,5-6,10,19H2,1H3,(H,20,22).

What are the key properties of Imidazothienopyrazine, 14e?

Imidazothienopyrazine, 14e has a molecular weight of 353.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Imidazothienopyrazine, 14e is sourced from PubChem (CID 25093439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 25093439 — identifiers, structure, computed properties (public domain)

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