5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H27N3O3S — CID 126668565

IUPAC5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCCOC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-3-4-10-24-14-7-5-13(6-8-14)20-16(22)15-12-19-18-21(17(15)23)9-11-25-18/h12-14H,2-11H2,1H3,(H,20,22)
InChIKeyCTJOFAXLQGJAFS-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.60
Rot. Bonds7

About 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126668565) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126668565
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCCOC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-3-4-10-24-14-7-5-13(6-8-14)20-16(22)15-12-19-18-21(17(15)23)9-11-25-18/h12-14H,2-11H2,1H3,(H,20,22)
InChIKeyCTJOFAXLQGJAFS-UHFFFAOYSA-N
XLogP2.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126668565) is 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCCOC1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1.
What is the InChIKey of 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CTJOFAXLQGJAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-3-4-10-24-14-7-5-13(6-8-14)20-16(22)15-12-19-18-21(17(15)23)9-11-25-18/h12-14H,2-11H2,1H3,(H,20,22).
What are the key properties of 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-pentoxycyclohexyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126668565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).