(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C17H16N4O3S2 — CID 176733493

IUPAC(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1c(C(=O)N2CCS(=O)(=O)CC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C17H16N4O3S2/c18-13-14-16(20-12(10-19-14)11-4-2-1-3-5-11)25-15(13)17(22)21-6-8-26(23,24)9-7-21/h1-5,10H,6-9,18H2
InChIKeyPAMCAMXOWCEMQE-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.81
Rot. Bonds2

About (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 176733493) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID176733493
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1c(C(=O)N2CCS(=O)(=O)CC2)sc2nc(-c3ccccc3)cnc12
InChIInChI=1S/C17H16N4O3S2/c18-13-14-16(20-12(10-19-14)11-4-2-1-3-5-11)25-15(13)17(22)21-6-8-26(23,24)9-7-21/h1-5,10H,6-9,18H2
InChIKeyPAMCAMXOWCEMQE-UHFFFAOYSA-N
XLogP1.81
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 176733493) is (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1c(C(=O)N2CCS(=O)(=O)CC2)sc2nc(-c3ccccc3)cnc12.
What is the InChIKey of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is PAMCAMXOWCEMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c18-13-14-16(20-12(10-19-14)11-4-2-1-3-5-11)25-15(13)17(22)21-6-8-26(23,24)9-7-21/h1-5,10H,6-9,18H2.
What are the key properties of (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3-phenylthieno[2,3-b]pyrazin-6-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 176733493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).