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

C10H11F2N3O3S — CID 104857317

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H11F2N3O3S/c11-10(12,5-16)4-14-7(17)6-3-13-9-15(8(6)18)1-2-19-9/h3,16H,1-2,4-5H2,(H,14,17)
InChIKeyOAMQVHQYJBPBAO-UHFFFAOYSA-N
MW291.28 g/mol
LogP-0.29
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 104857317) has the molecular formula C10H11F2N3O3S and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID104857317
Molecular FormulaC10H11F2N3O3S
Molecular Weight291.28 g/mol
Exact Mass291.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H11F2N3O3S/c11-10(12,5-16)4-14-7(17)6-3-13-9-15(8(6)18)1-2-19-9/h3,16H,1-2,4-5H2,(H,14,17)
InChIKeyOAMQVHQYJBPBAO-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 104857317) is N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(F)(F)CO)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OAMQVHQYJBPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3S/c11-10(12,5-16)4-14-7(17)6-3-13-9-15(8(6)18)1-2-19-9/h3,16H,1-2,4-5H2,(H,14,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 291.28 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 104857317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).