N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H21N3O2S — CID 42959787

IUPACN-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCC1CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C16H21N3O2S/c20-14(17-8-4-7-12-5-2-1-3-6-12)13-11-18-16-19(15(13)21)9-10-22-16/h9-12H,1-8H2,(H,17,20)
InChIKeyPDCYNEZNDIQQEJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.85
Rot. Bonds5

About N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42959787) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42959787
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCC1CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C16H21N3O2S/c20-14(17-8-4-7-12-5-2-1-3-6-12)13-11-18-16-19(15(13)21)9-10-22-16/h9-12H,1-8H2,(H,17,20)
InChIKeyPDCYNEZNDIQQEJ-UHFFFAOYSA-N
XLogP2.85
TPSA63.47 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4085155
7-hydroxy-5-oxo-N-(3,3,5-trimethylcyclohexyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853304
N-cyclododecyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4189746
N-cycloheptyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3450654
N-cyclohexyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4564512
N-[2-(1-adamantyl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45841873
5-Oxo-N-[3-(piperidin-1-YL)propyl]-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 46363942
N-cyclohexyl-7-ethylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469653
N-(3-(3,5-dimethylpiperidin-1-yl)propyl)-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853340
N-(4-methylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47109097
N-(4-butylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47915171
N-(4-butylcyclohexyl)-3-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126649730

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42959787) is N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCC1CCCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PDCYNEZNDIQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-14(17-8-4-7-12-5-2-1-3-6-12)13-11-18-16-19(15(13)21)9-10-22-16/h9-12H,1-8H2,(H,17,20).
What are the key properties of N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42959787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).