6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide

C16H22N2OS — CID 165350414

IUPAC6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide
SMILESCCCC1=C(CC)SCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H22N2OS/c1-3-8-14-15(4-2)20-12-11-18(14)16(19)17-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19)
InChIKeyCSLQIBWWXYBBMR-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.69
Rot. Bonds4

About 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide

6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide (PubChem CID 165350414) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide
PubChem CID165350414
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide
SMILESCCCC1=C(CC)SCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H22N2OS/c1-3-8-14-15(4-2)20-12-11-18(14)16(19)17-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19)
InChIKeyCSLQIBWWXYBBMR-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide?
The IUPAC name of 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide (CID 165350414) is 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide.
What is the SMILES notation for 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide?
The canonical SMILES for 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide is CCCC1=C(CC)SCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide?
The InChIKey is CSLQIBWWXYBBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-8-14-15(4-2)20-12-11-18(14)16(19)17-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19).
What are the key properties of 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide?
6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-phenyl-5-propyl-2,3-dihydro-1,4-thiazine-4-carboxamide is sourced from PubChem (CID 165350414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).