3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C14H20N4O2S — CID 90573380

IUPAC3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCN1CCN(C(=O)C2CSc3nccc(=O)n3C2)CC1
InChIInChI=1S/C14H20N4O2S/c1-2-16-5-7-17(8-6-16)13(20)11-9-18-12(19)3-4-15-14(18)21-10-11/h3-4,11H,2,5-10H2,1H3
InChIKeyAAILWGVZXBRTMH-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.13
Rot. Bonds2

About 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 90573380) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID90573380
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCN1CCN(C(=O)C2CSc3nccc(=O)n3C2)CC1
InChIInChI=1S/C14H20N4O2S/c1-2-16-5-7-17(8-6-16)13(20)11-9-18-12(19)3-4-15-14(18)21-10-11/h3-4,11H,2,5-10H2,1H3
InChIKeyAAILWGVZXBRTMH-UHFFFAOYSA-N
XLogP0.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90573630
3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90573677
N-(3-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573405
8-tert-butyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 71802343
N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573343
N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573419
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573582
N-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573431
7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 71802385
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573539
7-methyl-3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90572352
6-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573324

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 90573380) is 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCN1CCN(C(=O)C2CSc3nccc(=O)n3C2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is AAILWGVZXBRTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-16-5-7-17(8-6-16)13(20)11-9-18-12(19)3-4-15-14(18)21-10-11/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 308.41 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 90573380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).