2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H17N3O3S — CID 86890165

IUPAC2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O)c1ccco1
InChIInChI=1S/C20H17N3O3S/c1-13(17-8-5-9-26-17)22-18(24)16-11-21-20-23(19(16)25)12-15(27-20)10-14-6-3-2-4-7-14/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyLNAZNKDIMRVFHZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.43
Rot. Bonds5

About 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86890165) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID86890165
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O)c1ccco1
InChIInChI=1S/C20H17N3O3S/c1-13(17-8-5-9-26-17)22-18(24)16-11-21-20-23(19(16)25)12-15(27-20)10-14-6-3-2-4-7-14/h2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyLNAZNKDIMRVFHZ-UHFFFAOYSA-N
XLogP3.43
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890376
2-benzyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890397
N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86946499
2-benzyl-6-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86895841
2-benzyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 146153070
2-benzyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86891370
2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86891436
2-benzyl-N-[(2-tert-butyloxan-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86971611
2-benzyl-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 166194206
3-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 9450171
2-benzyl-6-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86892651
2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 97255982

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86890165) is 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(NC(=O)c1cnc2sc(Cc3ccccc3)cn2c1=O)c1ccco1.
What is the InChIKey of 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LNAZNKDIMRVFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13(17-8-5-9-26-17)22-18(24)16-11-21-20-23(19(16)25)12-15(27-20)10-14-6-3-2-4-7-14/h2-9,11-13H,10H2,1H3,(H,22,24).
What are the key properties of 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86890165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).