N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H19N3O3S — CID 94118760

IUPACN-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C15H19N3O3S/c19-13-12(7-16-15-17(13)4-6-22-15)14(20)18(11-1-2-11)8-10-3-5-21-9-10/h7,10-11H,1-6,8-9H2/t10-/m1/s1
InChIKeyBXHYJYMXDUEBGF-SNVBAGLBSA-N
MW321.40 g/mol
LogP0.99
Rot. Bonds4

About N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 94118760) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID94118760
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C15H19N3O3S/c19-13-12(7-16-15-17(13)4-6-22-15)14(20)18(11-1-2-11)8-10-3-5-21-9-10/h7,10-11H,1-6,8-9H2/t10-/m1/s1
InChIKeyBXHYJYMXDUEBGF-SNVBAGLBSA-N
XLogP0.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 94118760) is N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2n(c1=O)CCS2)N(C[C@H]1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BXHYJYMXDUEBGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-13-12(7-16-15-17(13)4-6-22-15)14(20)18(11-1-2-11)8-10-3-5-21-9-10/h7,10-11H,1-6,8-9H2/t10-/m1/s1.
What are the key properties of N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-oxo-N-[[(3R)-oxolan-3-yl]methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 94118760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).