N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C16H21N3O2S — CID 44827428

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1CSc2nccc(=O)n21)NCCC1=CCCCC1
InChIInChI=1S/C16H21N3O2S/c20-14(17-8-6-12-4-2-1-3-5-12)10-13-11-22-16-18-9-7-15(21)19(13)16/h4,7,9,13H,1-3,5-6,8,10-11H2,(H,17,20)
InChIKeyJOUAANJGNAHBGE-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 44827428) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID44827428
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESO=C(CC1CSc2nccc(=O)n21)NCCC1=CCCCC1
InChIInChI=1S/C16H21N3O2S/c20-14(17-8-6-12-4-2-1-3-5-12)10-13-11-22-16-18-9-7-15(21)19(13)16/h4,7,9,13H,1-3,5-6,8,10-11H2,(H,17,20)
InChIKeyJOUAANJGNAHBGE-UHFFFAOYSA-N
XLogP2.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(cyclohex-1-en-1-yl)ethyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3244339
N-[2-(1-cyclohexenyl)ethyl]-5-hydroxy-7-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
CID 135853305
N-cyclododecyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4189746
N-cycloheptyl-2-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867755
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868631
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{2-oxo-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-12-yl}acetamide
CID 44044869
N-(2-(cyclohex-1-en-1-yl)ethyl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802412
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 17248284
N-[2-(1-Cyclohexen-1-YL)ethyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-B][1,3]benzothiazole-3-carboxamide
CID 22575226
N-(2-(cyclohex-1-en-1-yl)ethyl)-4-oxo-4,6,7,8-tetrahydrocyclopenta[4,5]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 51692103
N-[2-(1-Cyclohexen-1-YL)ethyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-A]pyrimidine-3-carboxamide
CID 53008097
N-[2-(1-Cyclohexen-1-YL)ethyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-A]pyrimidine-3-carboxamide
CID 53008105

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 44827428) is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is O=C(CC1CSc2nccc(=O)n21)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is JOUAANJGNAHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-14(17-8-6-12-4-2-1-3-5-12)10-13-11-22-16-18-9-7-15(21)19(13)16/h4,7,9,13H,1-3,5-6,8,10-11H2,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 44827428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).