(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine

C6H11NS — CID 58230853

IUPAC(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine
SMILESC[C@@H]1CSC=N[C@@H]1C
InChIInChI=1S/C6H11NS/c1-5-3-8-4-7-6(5)2/h4-6H,3H2,1-2H3/t5-,6-/m1/s1
InChIKeyBCURFUJOEPEKOU-PHDIDXHHSA-N
MW129.23 g/mol
LogP1.79
Rot. Bonds

About (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine

(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 58230853) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine
PubChem CID58230853
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine
SMILESC[C@@H]1CSC=N[C@@H]1C
InChIInChI=1S/C6H11NS/c1-5-3-8-4-7-6(5)2/h4-6H,3H2,1-2H3/t5-,6-/m1/s1
InChIKeyBCURFUJOEPEKOU-PHDIDXHHSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine with MolForge

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Related Compounds

(s)-4-Isopropyl-4,5-dihydro-thiazole
CID 101620143
4-Ethyl-4,5-dihydro-1,3-thiazole
CID 13901675
4,5-Dimethyl-4,5-dihydro-1,3-thiazole
CID 18350318
(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-thiazine
CID 58230856
5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
CID 58473770
4-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
CID 58473771
4-Propan-2-yl-4,5-dihydro-1,3-thiazole
CID 58473813
4-Tert-butyl-4,5-dihydro-1,3-thiazole
CID 59151483
(4R,5S)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
CID 59379152
(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
CID 59379164
(5S,6S)-5,6-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine
CID 59584698
(4R,5S)-4,5-dimethyl-1,1-dimethylidene-5,6-dihydro-4H-1,3-thiazine
CID 59584716

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine (CID 58230853) is (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine is C[C@@H]1CSC=N[C@@H]1C.
What is the InChIKey of (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is BCURFUJOEPEKOU-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-3-8-4-7-6(5)2/h4-6H,3H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine?
(4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 129.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 58230853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).