1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C15H19N5O3S — CID 53010404

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)Nc3nccs3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H19N5O3S/c1-18-11(8-12(21)19(2)15(18)23)20-6-3-4-10(9-20)13(22)17-14-16-5-7-24-14/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17,22)
InChIKeyMLMGYDZNDLSTSD-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.40
Rot. Bonds3

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 53010404) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID53010404
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)Nc3nccs3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H19N5O3S/c1-18-11(8-12(21)19(2)15(18)23)20-6-3-4-10(9-20)13(22)17-14-16-5-7-24-14/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17,22)
InChIKeyMLMGYDZNDLSTSD-UHFFFAOYSA-N
XLogP0.40
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 53010404) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)Nc3nccs3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is MLMGYDZNDLSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-18-11(8-12(21)19(2)15(18)23)20-6-3-4-10(9-20)13(22)17-14-16-5-7-24-14/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,16,17,22).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53010404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).