N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C17H12Cl2N4O3S2 — CID 31959439

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H12Cl2N4O3S2/c18-11-2-3-12(13(19)7-11)14-9-27-17(20-14)21-16(24)10-1-4-15-22-28(25,26)6-5-23(15)8-10/h1-4,7-9H,5-6H2,(H,20,21,24)
InChIKeyXPXAWLWLFGAOIM-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.55
Rot. Bonds3

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 31959439) has the molecular formula C17H12Cl2N4O3S2 and a molecular weight of 455.35 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID31959439
Molecular FormulaC17H12Cl2N4O3S2
Molecular Weight455.35 g/mol
Exact Mass453.97
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C17H12Cl2N4O3S2/c18-11-2-3-12(13(19)7-11)14-9-27-17(20-14)21-16(24)10-1-4-15-22-28(25,26)6-5-23(15)8-10/h1-4,7-9H,5-6H2,(H,20,21,24)
InChIKeyXPXAWLWLFGAOIM-UHFFFAOYSA-N
XLogP3.55
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 31959439) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is XPXAWLWLFGAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3S2/c18-11-2-3-12(13(19)7-11)14-9-27-17(20-14)21-16(24)10-1-4-15-22-28(25,26)6-5-23(15)8-10/h1-4,7-9H,5-6H2,(H,20,21,24).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 31959439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).