(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine

C8H11NS — CID 166963431

IUPAC(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine
SMILESC[C@@H]1/C=C\C=C/CS/C=N\1
InChIInChI=1S/C8H11NS/c1-8-5-3-2-4-6-10-7-9-8/h2-5,7-8H,6H2,1H3/b4-2-,5-3-,9-7-/t8-/m1/s1
InChIKeyLHAFOIQLAOJWCC-SUNRURGOSA-N
MW153.25 g/mol
LogP2.26
Rot. Bonds

About (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine

(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine (PubChem CID 166963431) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine.

Molecular Properties

Compound Name(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine
PubChem CID166963431
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine
SMILESC[C@@H]1/C=C\C=C/CS/C=N\1
InChIInChI=1S/C8H11NS/c1-8-5-3-2-4-6-10-7-9-8/h2-5,7-8H,6H2,1H3/b4-2-,5-3-,9-7-/t8-/m1/s1
InChIKeyLHAFOIQLAOJWCC-SUNRURGOSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine?
The IUPAC name of (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine (CID 166963431) is (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine.
What is the SMILES notation for (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine?
The canonical SMILES for (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine is C[C@@H]1/C=C\C=C/CS/C=N\1.
What is the InChIKey of (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine?
The InChIKey is LHAFOIQLAOJWCC-SUNRURGOSA-N. The full InChI is InChI=1S/C8H11NS/c1-8-5-3-2-4-6-10-7-9-8/h2-5,7-8H,6H2,1H3/b4-2-,5-3-,9-7-/t8-/m1/s1.
What are the key properties of (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine?
(4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine has a molecular weight of 153.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5Z,7Z)-4-methyl-4,9-dihydro-1,3-thiazonine is sourced from PubChem (CID 166963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).