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

C16H17N3OS — CID 20920690

IUPACN-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCSc2ncccc21
InChIInChI=1S/C16H17N3OS/c1-2-12-6-3-4-7-13(12)18-16(20)19-10-11-21-15-14(19)8-5-9-17-15/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyFINZHEKVBNRVJF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.79
Rot. Bonds2

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

N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20920690) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20920690
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCSc2ncccc21
InChIInChI=1S/C16H17N3OS/c1-2-12-6-3-4-7-13(12)18-16(20)19-10-11-21-15-14(19)8-5-9-17-15/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyFINZHEKVBNRVJF-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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Related Compounds

N-(3-chloro-2-methylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279520
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921257
N-(2-ethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071803
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050025
N-[3-(butan-2-ylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921133
N-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921260
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921120
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
CID 46279545
N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691885
N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691884

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20920690) is N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCSc2ncccc21.
What is the InChIKey of N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is FINZHEKVBNRVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-12-6-3-4-7-13(12)18-16(20)19-10-11-21-15-14(19)8-5-9-17-15/h3-9H,2,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-(2-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-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20920690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).