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

C18H21N3O2S — CID 90572444

IUPACN-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(C(=O)C1CSc2ncc(C)c(=O)n2C1)c1cccc(C)c1
InChIInChI=1S/C18H21N3O2S/c1-4-20(15-7-5-6-12(2)8-15)17(23)14-10-21-16(22)13(3)9-19-18(21)24-11-14/h5-9,14H,4,10-11H2,1-3H3
InChIKeyMWMXOUWRKWBKAE-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.64
Rot. Bonds3

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

N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572444) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572444
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(C(=O)C1CSc2ncc(C)c(=O)n2C1)c1cccc(C)c1
InChIInChI=1S/C18H21N3O2S/c1-4-20(15-7-5-6-12(2)8-15)17(23)14-10-21-16(22)13(3)9-19-18(21)24-11-14/h5-9,14H,4,10-11H2,1-3H3
InChIKeyMWMXOUWRKWBKAE-UHFFFAOYSA-N
XLogP2.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572441
N,N-diethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572326
N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572346
N-(3-chloro-2-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572524
N-(3,5-dimethylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572518
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
(3S)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041319
N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511068
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
7-methyl-6-oxo-N-quinolin-8-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802306
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572444) is N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCN(C(=O)C1CSc2ncc(C)c(=O)n2C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is MWMXOUWRKWBKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-20(15-7-5-6-12(2)8-15)17(23)14-10-21-16(22)13(3)9-19-18(21)24-11-14/h5-9,14H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).