5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine

C7H13NS — CID 58473770

IUPAC5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)C1CN=CSC1
InChIInChI=1S/C7H13NS/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3
InChIKeyCQCFWADYLXCRPK-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.03
Rot. Bonds1

About 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine

5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine (PubChem CID 58473770) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
PubChem CID58473770
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine
SMILESCC(C)C1CN=CSC1
InChIInChI=1S/C7H13NS/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3
InChIKeyCQCFWADYLXCRPK-UHFFFAOYSA-N
XLogP2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine (CID 58473770) is 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine is CC(C)C1CN=CSC1.
What is the InChIKey of 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is CQCFWADYLXCRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine?
5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 143.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 58473770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).