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

C11H13F2N3O3S — CID 107483041

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(CCO)CC(F)F
InChIInChI=1S/C11H13F2N3O3S/c12-8(13)6-15(1-3-17)9(18)7-5-14-11-16(10(7)19)2-4-20-11/h5,8,17H,1-4,6H2
InChIKeyJTTSKVNOSFQCKG-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.05
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 107483041) has the molecular formula C11H13F2N3O3S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID107483041
Molecular FormulaC11H13F2N3O3S
Molecular Weight305.31 g/mol
Exact Mass305.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(CCO)CC(F)F
InChIInChI=1S/C11H13F2N3O3S/c12-8(13)6-15(1-3-17)9(18)7-5-14-11-16(10(7)19)2-4-20-11/h5,8,17H,1-4,6H2
InChIKeyJTTSKVNOSFQCKG-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 107483041) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2n(c1=O)CCS2)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JTTSKVNOSFQCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3S/c12-8(13)6-15(1-3-17)9(18)7-5-14-11-16(10(7)19)2-4-20-11/h5,8,17H,1-4,6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107483041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).