5-methyl-4-propan-2-yl-1,4-thiazin-3-one

C8H13NOS — CID 135004329

IUPAC5-methyl-4-propan-2-yl-1,4-thiazin-3-one
SMILESCC1=CSCC(=O)N1C(C)C
InChIInChI=1S/C8H13NOS/c1-6(2)9-7(3)4-11-5-8(9)10/h4,6H,5H2,1-3H3
InChIKeyAZPQDDPTPOOYRG-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.83
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1,4-thiazin-3-one

5-methyl-4-propan-2-yl-1,4-thiazin-3-one (PubChem CID 135004329) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1,4-thiazin-3-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1,4-thiazin-3-one
PubChem CID135004329
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-methyl-4-propan-2-yl-1,4-thiazin-3-one
SMILESCC1=CSCC(=O)N1C(C)C
InChIInChI=1S/C8H13NOS/c1-6(2)9-7(3)4-11-5-8(9)10/h4,6H,5H2,1-3H3
InChIKeyAZPQDDPTPOOYRG-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1,4-thiazin-3-one?
The IUPAC name of 5-methyl-4-propan-2-yl-1,4-thiazin-3-one (CID 135004329) is 5-methyl-4-propan-2-yl-1,4-thiazin-3-one.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1,4-thiazin-3-one?
The canonical SMILES for 5-methyl-4-propan-2-yl-1,4-thiazin-3-one is CC1=CSCC(=O)N1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1,4-thiazin-3-one?
The InChIKey is AZPQDDPTPOOYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)9-7(3)4-11-5-8(9)10/h4,6H,5H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-1,4-thiazin-3-one?
5-methyl-4-propan-2-yl-1,4-thiazin-3-one has a molecular weight of 171.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1,4-thiazin-3-one is sourced from PubChem (CID 135004329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).