2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide

C17H21N3O3S — CID 16868838

IUPAC2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCc1ccco1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)13-8-15(22)20-11(10-24-16(20)19-13)7-14(21)18-9-12-5-4-6-23-12/h4-6,8,11H,7,9-10H2,1-3H3,(H,18,21)
InChIKeyZBHWSDYTKDZGAO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.49
Rot. Bonds4

About 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide

2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 16868838) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID16868838
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCc1ccco1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)13-8-15(22)20-11(10-24-16(20)19-13)7-14(21)18-9-12-5-4-6-23-12/h4-6,8,11H,7,9-10H2,1-3H3,(H,18,21)
InChIKeyZBHWSDYTKDZGAO-UHFFFAOYSA-N
XLogP2.49
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-cyclopentylacetamide
CID 16868818
N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868880
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 16868814
N-(furan-2-ylmethyl)-2-(2-oxo-6-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl)acetamide
CID 16802693
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 16868825
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16868261
N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42065655
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868558
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetamide
CID 121123651
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 90547566

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 16868838) is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide is CC(C)(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCc1ccco1.
What is the InChIKey of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZBHWSDYTKDZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2,3)13-8-15(22)20-11(10-24-16(20)19-13)7-14(21)18-9-12-5-4-6-23-12/h4-6,8,11H,7,9-10H2,1-3H3,(H,18,21).
What are the key properties of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide?
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16868838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).