1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C21H31N5O3S — CID 46378738

IUPAC1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1
InChIInChI=1S/C21H31N5O3S/c1-14(2)29-12-6-10-22-18(27)15-7-5-11-25(13-15)21-24-26-19(28)16-8-3-4-9-17(16)23-20(26)30-21/h14-15H,3-13H2,1-2H3,(H,22,27)
InChIKeyBBGIJFXWNZXZKC-UHFFFAOYSA-N
MW433.58 g/mol
LogP2.18
Rot. Bonds7

About 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 46378738) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID46378738
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC Name1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1
InChIInChI=1S/C21H31N5O3S/c1-14(2)29-12-6-10-22-18(27)15-7-5-11-25(13-15)21-24-26-19(28)16-8-3-4-9-17(16)23-20(26)30-21/h14-15H,3-13H2,1-2H3,(H,22,27)
InChIKeyBBGIJFXWNZXZKC-UHFFFAOYSA-N
XLogP2.18
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-cyclohex-1-en-1-ylethyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 3240049
N-(3-Methylbutyl)-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-B]quinazolin-2-YL}piperidine-4-carboxamide
CID 20886628
N-Cyclopentyl-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-B]quinazolin-2-YL}piperidine-3-carboxamide
CID 46378706
2-[3-(Morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 46378723
N-butyl-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
CID 46378810
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 20893041
N-[3-(diethylamino)propyl]-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
CID 46378707
N-[2-(dimethylamino)ethyl]-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
CID 46378708
1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46378716
1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-propyl-3-piperidinecarboxamide
CID 46378717
N-[2-(diethylamino)ethyl]-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
CID 46378718
N-(3-morpholin-4-ylpropyl)-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
CID 46378719

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 46378738) is 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)C1CCCN(c2nn3c(=O)c4c(nc3s2)CCCC4)C1.
What is the InChIKey of 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is BBGIJFXWNZXZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-14(2)29-12-6-10-22-18(27)15-7-5-11-25(13-15)21-24-26-19(28)16-8-3-4-9-17(16)23-20(26)30-21/h14-15H,3-13H2,1-2H3,(H,22,27).
What are the key properties of 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 46378738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).