3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H25N3O3S — CID 126470071

IUPAC3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C17H25N3O3S/c1-10(2)6-11(8-21)19-14(22)12-7-18-16-20(15(12)23)13(9-24-16)17(3,4)5/h7,9-11,21H,6,8H2,1-5H3,(H,19,22)
InChIKeyTWDBOVIVUXEUPG-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.19
Rot. Bonds5

About 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470071) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470071
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C17H25N3O3S/c1-10(2)6-11(8-21)19-14(22)12-7-18-16-20(15(12)23)13(9-24-16)17(3,4)5/h7,9-11,21H,6,8H2,1-5H3,(H,19,22)
InChIKeyTWDBOVIVUXEUPG-UHFFFAOYSA-N
XLogP2.19
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470071) is 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CC(CO)NC(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is TWDBOVIVUXEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-10(2)6-11(8-21)19-14(22)12-7-18-16-20(15(12)23)13(9-24-16)17(3,4)5/h7,9-11,21H,6,8H2,1-5H3,(H,19,22).
What are the key properties of 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).