2-ethyl-3-methyl-4H-1,4-thiazine

C7H11NS — CID 173176988

IUPAC2-ethyl-3-methyl-4H-1,4-thiazine
SMILESCCC1=C(C)NC=CS1
InChIInChI=1S/C7H11NS/c1-3-7-6(2)8-4-5-9-7/h4-5,8H,3H2,1-2H3
InChIKeyRVZHLTWPRRCJEL-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.44
Rot. Bonds1

About 2-ethyl-3-methyl-4H-1,4-thiazine

2-ethyl-3-methyl-4H-1,4-thiazine (PubChem CID 173176988) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-ethyl-3-methyl-4H-1,4-thiazine
PubChem CID173176988
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-ethyl-3-methyl-4H-1,4-thiazine
SMILESCCC1=C(C)NC=CS1
InChIInChI=1S/C7H11NS/c1-3-7-6(2)8-4-5-9-7/h4-5,8H,3H2,1-2H3
InChIKeyRVZHLTWPRRCJEL-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dihydropyridin-2-ylmethanethiol
CID 19831200
2-(Methylsulfanylmethyl)-1,2-dihydropyridine
CID 22156945
2,3-dimethyl-4H-1,4-thiazine
CID 23559727
3-(1,4-Dihydropyridin-2-ylmethylsulfanyl)prop-1-en-1-amine
CID 70046316
2-(Methylsulfanylmethyl)-1,4-dihydropyridine
CID 70065395
3-(1,4-Dihydropyridin-2-ylmethylsulfanyl)prop-1-en-2-amine
CID 70434037
2,3,4,7-Tetrahydrothieno[3,2-b]pyridine
CID 142034850
3-methyl-2-propyl-4H-1,4-thiazine
CID 142434108
6-ethyl-5-methyl-3,4-dihydro-2H-1,4-thiazine
CID 149494828
3-tert-butyl-2-propan-2-yl-4H-1,4-thiazine
CID 155403873
2-butyl-3-methyl-4H-1,4-thiazine
CID 173176392
2-decyl-3-methyl-4H-1,4-thiazine
CID 173176398

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4H-1,4-thiazine?
The IUPAC name of 2-ethyl-3-methyl-4H-1,4-thiazine (CID 173176988) is 2-ethyl-3-methyl-4H-1,4-thiazine.
What is the SMILES notation for 2-ethyl-3-methyl-4H-1,4-thiazine?
The canonical SMILES for 2-ethyl-3-methyl-4H-1,4-thiazine is CCC1=C(C)NC=CS1.
What is the InChIKey of 2-ethyl-3-methyl-4H-1,4-thiazine?
The InChIKey is RVZHLTWPRRCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-7-6(2)8-4-5-9-7/h4-5,8H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-4H-1,4-thiazine?
2-ethyl-3-methyl-4H-1,4-thiazine has a molecular weight of 141.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4H-1,4-thiazine is sourced from PubChem (CID 173176988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).