2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide

C17H17N3O3S — CID 59580781

IUPAC2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)C1=CC(=O)CC(C)(C)O1
InChIInChI=1S/C17H17N3O3S/c1-10-15(24-16(19-10)11-5-4-6-18-9-11)20-14(22)13-7-12(21)8-17(2,3)23-13/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyBXHTVTAYHNLGGL-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.10
Rot. Bonds3

About 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide

2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide (PubChem CID 59580781) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide
PubChem CID59580781
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)C1=CC(=O)CC(C)(C)O1
InChIInChI=1S/C17H17N3O3S/c1-10-15(24-16(19-10)11-5-4-6-18-9-11)20-14(22)13-7-12(21)8-17(2,3)23-13/h4-7,9H,8H2,1-3H3,(H,20,22)
InChIKeyBXHTVTAYHNLGGL-UHFFFAOYSA-N
XLogP3.10
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide (CID 59580781) is 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide is Cc1nc(-c2cccnc2)sc1NC(=O)C1=CC(=O)CC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide?
The InChIKey is BXHTVTAYHNLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-15(24-16(19-10)11-5-4-6-18-9-11)20-14(22)13-7-12(21)8-17(2,3)23-13/h4-7,9H,8H2,1-3H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide?
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide is sourced from PubChem (CID 59580781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).