3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine

C10H9NS3 — CID 82376670

IUPAC3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
SMILESc1csc(C2CNc3ccsc3S2)c1
InChIInChI=1S/C10H9NS3/c1-2-8(12-4-1)9-6-11-7-3-5-13-10(7)14-9/h1-5,9,11H,6H2
InChIKeyCPUGMFBATYOLPA-UHFFFAOYSA-N
MW239.39 g/mol
LogP4.07
Rot. Bonds1

About 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine

3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine (PubChem CID 82376670) has the molecular formula C10H9NS3 and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
PubChem CID82376670
Molecular FormulaC10H9NS3
Molecular Weight239.39 g/mol
Exact Mass238.99
IUPAC Name3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
SMILESc1csc(C2CNc3ccsc3S2)c1
InChIInChI=1S/C10H9NS3/c1-2-8(12-4-1)9-6-11-7-3-5-13-10(7)14-9/h1-5,9,11H,6H2
InChIKeyCPUGMFBATYOLPA-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
CID 82376674
(6S)-6-thiophen-2-yl-5,6-dihydrothieno[2,3-b]thiopyran-4-one
CID 125493506
(2S)-2-thiophen-2-ylaziridine
CID 55263035
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285794
2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene
CID 148641519
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
5-thiophen-2-yl-4,5-dihydro-1,2-thiazole
CID 140995680
2-thiophen-2-yl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine
CID 82377314
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The IUPAC name of 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine (CID 82376670) is 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine.
What is the SMILES notation for 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The canonical SMILES for 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine is c1csc(C2CNc3ccsc3S2)c1.
What is the InChIKey of 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The InChIKey is CPUGMFBATYOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS3/c1-2-8(12-4-1)9-6-11-7-3-5-13-10(7)14-9/h1-5,9,11H,6H2.
What are the key properties of 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine has a molecular weight of 239.39 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine is sourced from PubChem (CID 82376670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).