5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide

C19H21N5O2S2 — CID 166328844

IUPAC5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCN4C(CCS4(=O)=O)C3)c2c1C
InChIInChI=1S/C19H21N5O2S2/c1-12-13(2)27-19-16(12)18(21-17(22-19)14-4-3-6-20-10-14)23-7-8-24-15(11-23)5-9-28(24,25)26/h3-4,6,10,15H,5,7-9,11H2,1-2H3
InChIKeyRKVLSLOPWAGFBG-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.59
Rot. Bonds2

About 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide

5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide (PubChem CID 166328844) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide
PubChem CID166328844
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide
SMILESCc1sc2nc(-c3cccnc3)nc(N3CCN4C(CCS4(=O)=O)C3)c2c1C
InChIInChI=1S/C19H21N5O2S2/c1-12-13(2)27-19-16(12)18(21-17(22-19)14-4-3-6-20-10-14)23-7-8-24-15(11-23)5-9-28(24,25)26/h3-4,6,10,15H,5,7-9,11H2,1-2H3
InChIKeyRKVLSLOPWAGFBG-UHFFFAOYSA-N
XLogP2.59
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide?
The IUPAC name of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide (CID 166328844) is 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide.
What is the SMILES notation for 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide?
The canonical SMILES for 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide is Cc1sc2nc(-c3cccnc3)nc(N3CCN4C(CCS4(=O)=O)C3)c2c1C.
What is the InChIKey of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide?
The InChIKey is RKVLSLOPWAGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-12-13(2)27-19-16(12)18(21-17(22-19)14-4-3-6-20-10-14)23-7-8-24-15(11-23)5-9-28(24,25)26/h3-4,6,10,15H,5,7-9,11H2,1-2H3.
What are the key properties of 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide?
5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide has a molecular weight of 415.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide is sourced from PubChem (CID 166328844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).