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Imidazothienopyrazine, 13c

C14H14N6S2 — CID 25093427

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN'-[12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl]ethane-1,2-diamine
SMILESCc1cnc2c(NCCN)nc3cc(-c4nccs4)sc3n12
InChIInChI=1S/C14H14N6S2/c1-8-7-18-12-11(16-3-2-15)19-9-6-10(13-17-4-5-21-13)22-14(9)20(8)12/h4-7H,2-3,15H2,1H3,(H,16,19)
InChIKeyMPOVOQADOQCZTR-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.75
Rot. Bonds4

About Imidazothienopyrazine, 13c

Imidazothienopyrazine, 13c (PubChem CID 25093427) has the molecular formula C14H14N6S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N'-[12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameImidazothienopyrazine, 13c
PubChem CID25093427
Molecular FormulaC14H14N6S2
Molecular Weight330.44 g/mol
Exact Mass330.07
IUPAC NameN'-[12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl]ethane-1,2-diamine
SMILESCc1cnc2c(NCCN)nc3cc(-c4nccs4)sc3n12
InChIInChI=1S/C14H14N6S2/c1-8-7-18-12-11(16-3-2-15)19-9-6-10(13-17-4-5-21-13)22-14(9)20(8)12/h4-7H,2-3,15H2,1H3,(H,16,19)
InChIKeyMPOVOQADOQCZTR-UHFFFAOYSA-N
XLogP2.75
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Imidazothienopyrazine, 13c?
The IUPAC name of Imidazothienopyrazine, 13c (CID 25093427) is N'-[12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl]ethane-1,2-diamine.
What is the SMILES notation for Imidazothienopyrazine, 13c?
The canonical SMILES for Imidazothienopyrazine, 13c is Cc1cnc2c(NCCN)nc3cc(-c4nccs4)sc3n12.
What is the InChIKey of Imidazothienopyrazine, 13c?
The InChIKey is MPOVOQADOQCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S2/c1-8-7-18-12-11(16-3-2-15)19-9-6-10(13-17-4-5-21-13)22-14(9)20(8)12/h4-7H,2-3,15H2,1H3,(H,16,19).
What are the key properties of Imidazothienopyrazine, 13c?
Imidazothienopyrazine, 13c has a molecular weight of 330.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Imidazothienopyrazine, 13c is sourced from PubChem (CID 25093427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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