N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C16H17N3OS — CID 20920681

IUPACN-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCSc3ncccc32)cc1
InChIInChI=1S/C16H17N3OS/c1-2-12-5-7-13(8-6-12)18-16(20)19-10-11-21-15-14(19)4-3-9-17-15/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyLDBNRWFPYBNKPR-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.79
Rot. Bonds2

About N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20920681) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20920681
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCSc3ncccc32)cc1
InChIInChI=1S/C16H17N3OS/c1-2-12-5-7-13(8-6-12)18-16(20)19-10-11-21-15-14(19)4-3-9-17-15/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyLDBNRWFPYBNKPR-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20920681) is N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CCc1ccc(NC(=O)N2CCSc3ncccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is LDBNRWFPYBNKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-12-5-7-13(8-6-12)18-16(20)19-10-11-21-15-14(19)4-3-9-17-15/h3-9H,2,10-11H2,1H3,(H,18,20).
What are the key properties of N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20920681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).