N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C19H18N4O3S2 — CID 8801213

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n2)cc1
InChIInChI=1S/C19H18N4O3S2/c1-2-13-5-7-14(8-6-13)16-12-27-19(20-16)21-18(24)15-4-3-9-23-10-11-28(25,26)22-17(15)23/h3-9,12H,2,10-11H2,1H3,(H,20,21,24)
InChIKeyHYDBLOBYNCVJMD-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8801213) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8801213
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n2)cc1
InChIInChI=1S/C19H18N4O3S2/c1-2-13-5-7-14(8-6-13)16-12-27-19(20-16)21-18(24)15-4-3-9-23-10-11-28(25,26)22-17(15)23/h3-9,12H,2,10-11H2,1H3,(H,20,21,24)
InChIKeyHYDBLOBYNCVJMD-UHFFFAOYSA-N
XLogP2.81
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777025
N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 119640306
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 17421007
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78808676
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78811547
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8801213) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CCc1ccc(-c2csc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is HYDBLOBYNCVJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-2-13-5-7-14(8-6-13)16-12-27-19(20-16)21-18(24)15-4-3-9-23-10-11-28(25,26)22-17(15)23/h3-9,12H,2,10-11H2,1H3,(H,20,21,24).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8801213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).