N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C18H21N3O3S — CID 91797774

IUPACN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc(=O)nc2sccn12
InChIInChI=1S/C18H21N3O3S/c22-13-9-12(21-6-8-25-18(21)19-13)17(23)20-15-11-5-7-24-16(11)14(15)10-3-1-2-4-10/h6,8-11,14-16H,1-5,7H2,(H,20,23)/t11-,14+,15-,16-/m0/s1
InChIKeyHAWZLBOMOBPXPR-MWNCTCPHSA-N
MW359.45 g/mol
LogP2.08
Rot. Bonds3

About N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 91797774) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID91797774
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc(=O)nc2sccn12
InChIInChI=1S/C18H21N3O3S/c22-13-9-12(21-6-8-25-18(21)19-13)17(23)20-15-11-5-7-24-16(11)14(15)10-3-1-2-4-10/h6,8-11,14-16H,1-5,7H2,(H,20,23)/t11-,14+,15-,16-/m0/s1
InChIKeyHAWZLBOMOBPXPR-MWNCTCPHSA-N
XLogP2.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 91797774) is N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc(=O)nc2sccn12.
What is the InChIKey of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is HAWZLBOMOBPXPR-MWNCTCPHSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-13-9-12(21-6-8-25-18(21)19-13)17(23)20-15-11-5-7-24-16(11)14(15)10-3-1-2-4-10/h6,8-11,14-16H,1-5,7H2,(H,20,23)/t11-,14+,15-,16-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 91797774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).