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

C15H23N3O2S — CID 90573062

IUPACN-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)NC(C)CC)CS2
InChIInChI=1S/C15H23N3O2S/c1-5-9(3)16-13(19)11-7-18-14(20)12(6-2)10(4)17-15(18)21-8-11/h9,11H,5-8H2,1-4H3,(H,16,19)
InChIKeyPSEDNHVQROQYDV-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.75
Rot. Bonds4

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

N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573062) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573062
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)NC(C)CC)CS2
InChIInChI=1S/C15H23N3O2S/c1-5-9(3)16-13(19)11-7-18-14(20)12(6-2)10(4)17-15(18)21-8-11/h9,11H,5-8H2,1-4H3,(H,16,19)
InChIKeyPSEDNHVQROQYDV-UHFFFAOYSA-N
XLogP1.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573062) is N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)NC(C)CC)CS2.
What is the InChIKey of N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is PSEDNHVQROQYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-5-9(3)16-13(19)11-7-18-14(20)12(6-2)10(4)17-15(18)21-8-11/h9,11H,5-8H2,1-4H3,(H,16,19).
What are the key properties of N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).