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

C18H21N3O2S2 — CID 90572993

IUPAC7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ccc(SC)cc1)CS2
InChIInChI=1S/C18H21N3O2S2/c1-4-15-11(2)19-18-21(17(15)23)9-12(10-25-18)16(22)20-13-5-7-14(24-3)8-6-13/h5-8,12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyPJKUIVLZJYVBTH-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.20
Rot. Bonds4

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

7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572993) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572993
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ccc(SC)cc1)CS2
InChIInChI=1S/C18H21N3O2S2/c1-4-15-11(2)19-18-21(17(15)23)9-12(10-25-18)16(22)20-13-5-7-14(24-3)8-6-13/h5-8,12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyPJKUIVLZJYVBTH-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573134
7-ethyl-8-methyl-6-oxo-N-pyridin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573222
N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573188
N-(3-chlorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573140
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
N-(2,4-dimethoxyphenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573196
7-ethyl-8-methyl-N-(2-methyl-4-nitrophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573207
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573287
N-(2,2-dimethoxyethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573079
(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105551
7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573011
N,N-dibutyl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573006

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572993) is 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ccc(SC)cc1)CS2.
What is the InChIKey of 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is PJKUIVLZJYVBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-4-15-11(2)19-18-21(17(15)23)9-12(10-25-18)16(22)20-13-5-7-14(24-3)8-6-13/h5-8,12H,4,9-10H2,1-3H3,(H,20,22).
What are the key properties of 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).