1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C18H26N6O3S — CID 20892968

IUPAC1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)NCCN4CCOCC4)CC3)sc2n1
InChIInChI=1S/C18H26N6O3S/c1-13-12-15(25)24-17(20-13)28-18(21-24)23-5-2-14(3-6-23)16(26)19-4-7-22-8-10-27-11-9-22/h12,14H,2-11H2,1H3,(H,19,26)
InChIKeyZMSRISAVICBXLC-UHFFFAOYSA-N
MW406.51 g/mol
LogP0.12
Rot. Bonds5

About 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 20892968) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID20892968
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1cc(=O)n2nc(N3CCC(C(=O)NCCN4CCOCC4)CC3)sc2n1
InChIInChI=1S/C18H26N6O3S/c1-13-12-15(25)24-17(20-13)28-18(21-24)23-5-2-14(3-6-23)16(26)19-4-7-22-8-10-27-11-9-22/h12,14H,2-11H2,1H3,(H,19,26)
InChIKeyZMSRISAVICBXLC-UHFFFAOYSA-N
XLogP0.12
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

CID 3241629
CID 3241629
CID 3245528
CID 3245528
CID 16012128
CID 16012128
CID 3242901
CID 3242901
CID 6623667
CID 6623667
CID 6620243
CID 6620243
CID 18209038
CID 18209038
CID 20886547
CID 20886547
CID 20892937
CID 20892937
CID 20892942
CID 20892942
CID 20892946
CID 20892946
CID 20892955
CID 20892955

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 20892968) is 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cc1cc(=O)n2nc(N3CCC(C(=O)NCCN4CCOCC4)CC3)sc2n1.
What is the InChIKey of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is ZMSRISAVICBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-13-12-15(25)24-17(20-13)28-18(21-24)23-5-2-14(3-6-23)16(26)19-4-7-22-8-10-27-11-9-22/h12,14H,2-11H2,1H3,(H,19,26).
What are the key properties of 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20892968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).