N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C18H23N5O3S — CID 20942796

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C18H23N5O3S/c24-15(19-7-6-13-4-2-1-3-5-13)14-12-20-17-23(16(14)25)21-18(27-17)22-8-10-26-11-9-22/h4,12H,1-3,5-11H2,(H,19,24)
InChIKeyCHZZOGAJGGBELS-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942796) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942796
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc2sc(N3CCOCC3)nn2c1=O
InChIInChI=1S/C18H23N5O3S/c24-15(19-7-6-13-4-2-1-3-5-13)14-12-20-17-23(16(14)25)21-18(27-17)22-8-10-26-11-9-22/h4,12H,1-3,5-11H2,(H,19,24)
InChIKeyCHZZOGAJGGBELS-UHFFFAOYSA-N
XLogP1.61
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942768
N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942876
5-oxo-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942683
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248322
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942852
1-[2-(cyclohexen-1-yl)ethyl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41224373
N-[2-(cyclohexen-1-yl)ethyl]-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842370
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 46375087
N-(2-methoxyethyl)-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338047
N-[2-(cyclohexen-1-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950917
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46338030

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942796) is N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCC1=CCCCC1)c1cnc2sc(N3CCOCC3)nn2c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CHZZOGAJGGBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c24-15(19-7-6-13-4-2-1-3-5-13)14-12-20-17-23(16(14)25)21-18(27-17)22-8-10-26-11-9-22/h4,12H,1-3,5-11H2,(H,19,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).