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

C17H23N3O3S — CID 126470815

IUPAC3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)13-9-24-16-18-8-12(15(23)20(13)16)14(22)19-10-4-6-11(21)7-5-10/h8-11,21H,4-7H2,1-3H3,(H,19,22)
InChIKeyVINOJKFPEOZSNR-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.09
Rot. Bonds2

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

3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470815) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470815
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)c1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)13-9-24-16-18-8-12(15(23)20(13)16)14(22)19-10-4-6-11(21)7-5-10/h8-11,21H,4-7H2,1-3H3,(H,19,22)
InChIKeyVINOJKFPEOZSNR-UHFFFAOYSA-N
XLogP2.09
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.09
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-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470815) is 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)(C)c1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12.
What is the InChIKey of 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VINOJKFPEOZSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(2,3)13-9-24-16-18-8-12(15(23)20(13)16)14(22)19-10-4-6-11(21)7-5-10/h8-11,21H,4-7H2,1-3H3,(H,19,22).
What are the key properties of 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-hydroxycyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).