4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine

C7H8N2S — CID 173174891

IUPAC4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine
SMILESC1=CC2NC=CSC2C=N1
InChIInChI=1S/C7H8N2S/c1-2-8-5-7-6(1)9-3-4-10-7/h1-7,9H
InChIKeyPNDJWQOFAMDMTM-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.13
Rot. Bonds

About 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine

4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine (PubChem CID 173174891) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine.

Molecular Properties

Compound Name4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine
PubChem CID173174891
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine
SMILESC1=CC2NC=CSC2C=N1
InChIInChI=1S/C7H8N2S/c1-2-8-5-7-6(1)9-3-4-10-7/h1-7,9H
InChIKeyPNDJWQOFAMDMTM-UHFFFAOYSA-N
XLogP1.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine?
The IUPAC name of 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine (CID 173174891) is 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine.
What is the SMILES notation for 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine?
The canonical SMILES for 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine is C1=CC2NC=CSC2C=N1.
What is the InChIKey of 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine?
The InChIKey is PNDJWQOFAMDMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-8-5-7-6(1)9-3-4-10-7/h1-7,9H.
What are the key properties of 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine?
4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine has a molecular weight of 152.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydro-1H-pyrido[3,4-b][1,4]thiazine is sourced from PubChem (CID 173174891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).