3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C33H26N6O5S2 — CID 145342072

IUPAC3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1
InChIInChI=1S/C17H13N3O3S.C16H13N3O2S/c21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;1-21-12-6-4-5-11(9-12)15(20)19-16-18-14(10-22-16)13-7-2-3-8-17-13/h1-8,10,15H,9H2,(H,19,20,21);2-10H,1H3,(H,18,19,20)
InChIKeyGJHPSWMCWDIPHC-UHFFFAOYSA-N
MW650.74 g/mol
LogP6.45
Rot. Bonds7

About 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 145342072) has the molecular formula C33H26N6O5S2 and a molecular weight of 650.74 g/mol. Its IUPAC name is 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID145342072
Molecular FormulaC33H26N6O5S2
Molecular Weight650.74 g/mol
Exact Mass650.14
IUPAC Name3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1
InChIInChI=1S/C17H13N3O3S.C16H13N3O2S/c21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;1-21-12-6-4-5-11(9-12)15(20)19-16-18-14(10-22-16)13-7-2-3-8-17-13/h1-8,10,15H,9H2,(H,19,20,21);2-10H,1H3,(H,18,19,20)
InChIKeyGJHPSWMCWDIPHC-UHFFFAOYSA-N
XLogP6.45
TPSA137.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.74
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5056270
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 5143831
N-(4-(pyridin-2-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 5199136
3-benzyloxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 26203066
N-[5-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162644509
N-[5-(morpholin-4-ylmethyl)-4-pyridin-4-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162663914
N-(5-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162666223
N-[5-(morpholin-4-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162646123
N-[5-[(dimethylamino)methyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162659964
N-[4-pyridin-3-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162660004
N-[5-[2-(dimethylamino)-2-oxoethyl]-4-pyridin-4-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162665574
3-phenoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 3353877

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 145342072) is 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.
What is the InChIKey of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is GJHPSWMCWDIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S.C16H13N3O2S/c21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;1-21-12-6-4-5-11(9-12)15(20)19-16-18-14(10-22-16)13-7-2-3-8-17-13/h1-8,10,15H,9H2,(H,19,20,21);2-10H,1H3,(H,18,19,20).
What are the key properties of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 650.74 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 145342072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).