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

C14H21N3O2S — CID 90573060

IUPAC7-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)CC(C(=O)NC(C)C)CS2
InChIInChI=1S/C14H21N3O2S/c1-5-11-9(4)16-14-17(13(11)19)6-10(7-20-14)12(18)15-8(2)3/h8,10H,5-7H2,1-4H3,(H,15,18)
InChIKeyQUMWTILCKUAMBP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.36
Rot. Bonds3

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

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 90573060) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 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 Name7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573060
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name7-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)CC(C(=O)NC(C)C)CS2
InChIInChI=1S/C14H21N3O2S/c1-5-11-9(4)16-14-17(13(11)19)6-10(7-20-14)12(18)15-8(2)3/h8,10H,5-7H2,1-4H3,(H,15,18)
InChIKeyQUMWTILCKUAMBP-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573060) is 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 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 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)CC(C(=O)NC(C)C)CS2.
What is the InChIKey of 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 QUMWTILCKUAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-5-11-9(4)16-14-17(13(11)19)6-10(7-20-14)12(18)15-8(2)3/h8,10H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 7-ethyl-8-methyl-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
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 295.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 90573060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).