2,5-diethyl-6H-1,3-thiazine

C8H13NS — CID 123431282

IUPAC2,5-diethyl-6H-1,3-thiazine
SMILESCCC1=CN=C(CC)SC1
InChIInChI=1S/C8H13NS/c1-3-7-5-9-8(4-2)10-6-7/h5H,3-4,6H2,1-2H3
InChIKeyNOJSUSIJRIPMCI-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.84
Rot. Bonds2

About 2,5-diethyl-6H-1,3-thiazine

2,5-diethyl-6H-1,3-thiazine (PubChem CID 123431282) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,5-diethyl-6H-1,3-thiazine.

Molecular Properties

Compound Name2,5-diethyl-6H-1,3-thiazine
PubChem CID123431282
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,5-diethyl-6H-1,3-thiazine
SMILESCCC1=CN=C(CC)SC1
InChIInChI=1S/C8H13NS/c1-3-7-5-9-8(4-2)10-6-7/h5H,3-4,6H2,1-2H3
InChIKeyNOJSUSIJRIPMCI-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propylsulfanyl-3,4-dihydropyridine
CID 91276382
ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate
CID 123835011
methyl N-(2-ethylbut-1-enyl)propanimidothioate
CID 130256859
2-methyl-6-propan-2-yl-2H-1,4-thiazine
CID 132187003
(4Z)-2,5-dimethyl-7,8-dihydro-6H-1,3-thiazocine
CID 142913826
2-ethyl-6-methyl-6H-1,3-thiazine
CID 145473598
2,5-dimethyl-6H-1,3-thiazine
CID 146435223
6-methyl-2-propan-2-yl-6H-1,3-thiazine
CID 155154829
ethyl N-[(1Z)-2-ethylbuta-1,3-dienyl]propanimidothioate
CID 163880216

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-6H-1,3-thiazine?
The IUPAC name of 2,5-diethyl-6H-1,3-thiazine (CID 123431282) is 2,5-diethyl-6H-1,3-thiazine.
What is the SMILES notation for 2,5-diethyl-6H-1,3-thiazine?
The canonical SMILES for 2,5-diethyl-6H-1,3-thiazine is CCC1=CN=C(CC)SC1.
What is the InChIKey of 2,5-diethyl-6H-1,3-thiazine?
The InChIKey is NOJSUSIJRIPMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-7-5-9-8(4-2)10-6-7/h5H,3-4,6H2,1-2H3.
What are the key properties of 2,5-diethyl-6H-1,3-thiazine?
2,5-diethyl-6H-1,3-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-6H-1,3-thiazine is sourced from PubChem (CID 123431282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).