3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine

C9H12N2S — CID 114827419

IUPAC3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
SMILESCc1ccnc2c1NCC(C)S2
InChIInChI=1S/C9H12N2S/c1-6-3-4-10-9-8(6)11-5-7(2)12-9/h3-4,7,11H,5H2,1-2H3
InChIKeyFYSKIWAFUAZMSQ-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.30
Rot. Bonds

About 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine

3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine (PubChem CID 114827419) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
PubChem CID114827419
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
SMILESCc1ccnc2c1NCC(C)S2
InChIInChI=1S/C9H12N2S/c1-6-3-4-10-9-8(6)11-5-7(2)12-9/h3-4,7,11H,5H2,1-2H3
InChIKeyFYSKIWAFUAZMSQ-UHFFFAOYSA-N
XLogP2.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine with MolForge

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Related Compounds

3,9-dimethyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]thiazepin-2-one
CID 105356151
2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 114827412
8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 115285789
6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619645
2,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84618469
4,9-dimethyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 79293098
3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 81081120
(3S)-3,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 42079847
3,4,7,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 84618795
5-chloro-1,2-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazine
CID 138108148
8-methyl-3-phenyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79293097
4,7-dimethyl-2,3-dihydro-1H-indol-3-amine
CID 84739517

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The IUPAC name of 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine (CID 114827419) is 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine.
What is the SMILES notation for 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The canonical SMILES for 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine is Cc1ccnc2c1NCC(C)S2.
What is the InChIKey of 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
The InChIKey is FYSKIWAFUAZMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6-3-4-10-9-8(6)11-5-7(2)12-9/h3-4,7,11H,5H2,1-2H3.
What are the key properties of 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine?
3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine has a molecular weight of 180.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine is sourced from PubChem (CID 114827419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).