3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H17N3O2S2 — CID 126471150

IUPAC3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NCc3cccs3)c(=O)n12
InChIInChI=1S/C16H17N3O2S2/c1-16(2,3)12-9-23-15-18-8-11(14(21)19(12)15)13(20)17-7-10-5-4-6-22-10/h4-6,8-9H,7H2,1-3H3,(H,17,20)
InChIKeyPYOFKYLNWUTBMV-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.05
Rot. Bonds3

About 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471150) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471150
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NCc3cccs3)c(=O)n12
InChIInChI=1S/C16H17N3O2S2/c1-16(2,3)12-9-23-15-18-8-11(14(21)19(12)15)13(20)17-7-10-5-4-6-22-10/h4-6,8-9H,7H2,1-3H3,(H,17,20)
InChIKeyPYOFKYLNWUTBMV-UHFFFAOYSA-N
XLogP3.05
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470400
3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471203
3-tert-butyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470044
N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469794
3-tert-butyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71708072
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469585
3-tert-butyl-5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470964
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
2-(benzylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 20959702
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471150) is 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)c1csc2ncc(C(=O)NCc3cccs3)c(=O)n12.
What is the InChIKey of 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PYOFKYLNWUTBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-16(2,3)12-9-23-15-18-8-11(14(21)19(12)15)13(20)17-7-10-5-4-6-22-10/h4-6,8-9H,7H2,1-3H3,(H,17,20).
What are the key properties of 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).