N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide

C17H14N4O4S — CID 155561287

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(=O)[nH]c2)n1
InChIInChI=1S/C17H14N4O4S/c22-15-4-2-11(8-18-15)20-17-21-12(9-26-17)16(23)19-10-1-3-13-14(7-10)25-6-5-24-13/h1-4,7-9H,5-6H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyZKWVVCZWJWJAFA-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.60
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 155561287) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID155561287
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(=O)[nH]c2)n1
InChIInChI=1S/C17H14N4O4S/c22-15-4-2-11(8-18-15)20-17-21-12(9-26-17)16(23)19-10-1-3-13-14(7-10)25-6-5-24-13/h1-4,7-9H,5-6H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyZKWVVCZWJWJAFA-UHFFFAOYSA-N
XLogP2.60
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide (CID 155561287) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(=O)[nH]c2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ZKWVVCZWJWJAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c22-15-4-2-11(8-18-15)20-17-21-12(9-26-17)16(23)19-10-1-3-13-14(7-10)25-6-5-24-13/h1-4,7-9H,5-6H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyridin-3-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155561287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).