N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H13N3O3S — CID 5199136

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H13N3O3S/c21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyCEIPQWJDSJGERZ-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.23
Rot. Bonds3

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 5199136) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID5199136
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H13N3O3S/c21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyCEIPQWJDSJGERZ-UHFFFAOYSA-N
XLogP3.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3,5-dimethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 2660457
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
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-fluorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 16030762
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 5199136) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is CEIPQWJDSJGERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12/h1-6,9-10H,7-8H2,(H,19,20,21).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 5199136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).