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

C21H27N3O2S — CID 97105562

IUPAC(3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)C[C@H](C(=O)N(Cc1ccccc1)C(C)C)CS2
InChIInChI=1S/C21H27N3O2S/c1-5-18-15(4)22-21-24(20(18)26)12-17(13-27-21)19(25)23(14(2)3)11-16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3/t17-/m0/s1
InChIKeyVRWBOCDWXOQCOV-KRWDZBQOSA-N
MW385.53 g/mol
LogP3.27
Rot. Bonds5

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

(3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 97105562) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID97105562
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)C[C@H](C(=O)N(Cc1ccccc1)C(C)C)CS2
InChIInChI=1S/C21H27N3O2S/c1-5-18-15(4)22-21-24(20(18)26)12-17(13-27-21)19(25)23(14(2)3)11-16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3/t17-/m0/s1
InChIKeyVRWBOCDWXOQCOV-KRWDZBQOSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

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Related Compounds

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
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,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572346
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
7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572993
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-[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-(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-(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-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573352
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 97105562) is (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)C[C@H](C(=O)N(Cc1ccccc1)C(C)C)CS2.
What is the InChIKey of (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is VRWBOCDWXOQCOV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-5-18-15(4)22-21-24(20(18)26)12-17(13-27-21)19(25)23(14(2)3)11-16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3/t17-/m0/s1.
What are the key properties of (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
(3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 97105562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).