7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C20H19N3O4S — CID 71802353

IUPAC7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1cc3ccccc3oc1=O)CS2
InChIInChI=1S/C20H19N3O4S/c1-3-14-11(2)21-20-23(18(14)25)9-13(10-28-20)17(24)22-15-8-12-6-4-5-7-16(12)27-19(15)26/h4-8,13H,3,9-10H2,1-2H3,(H,22,24)
InChIKeyLNNNUHNXTJHZQY-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.58
Rot. Bonds3

About 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802353) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802353
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1cc3ccccc3oc1=O)CS2
InChIInChI=1S/C20H19N3O4S/c1-3-14-11(2)21-20-23(18(14)25)9-13(10-28-20)17(24)22-15-8-12-6-4-5-7-16(12)27-19(15)26/h4-8,13H,3,9-10H2,1-2H3,(H,22,24)
InChIKeyLNNNUHNXTJHZQY-UHFFFAOYSA-N
XLogP2.58
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802353) is 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)Nc1cc3ccccc3oc1=O)CS2.
What is the InChIKey of 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is LNNNUHNXTJHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-3-14-11(2)21-20-23(18(14)25)9-13(10-28-20)17(24)22-15-8-12-6-4-5-7-16(12)27-19(15)26/h4-8,13H,3,9-10H2,1-2H3,(H,22,24).
What are the key properties of 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).