N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H21N3O3S — CID 86798345

IUPACN-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC1OCCCC1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C16H21N3O3S/c1-10(2)8-13-12(4-3-6-22-13)18-14(20)11-9-17-16-19(15(11)21)5-7-23-16/h5,7,9-10,12-13H,3-4,6,8H2,1-2H3,(H,18,20)
InChIKeyWUWPKCUUWWJWNF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86798345) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID86798345
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC1OCCCC1NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C16H21N3O3S/c1-10(2)8-13-12(4-3-6-22-13)18-14(20)11-9-17-16-19(15(11)21)5-7-23-16/h5,7,9-10,12-13H,3-4,6,8H2,1-2H3,(H,18,20)
InChIKeyWUWPKCUUWWJWNF-UHFFFAOYSA-N
XLogP2.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86798345) is N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CC1OCCCC1NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WUWPKCUUWWJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(2)8-13-12(4-3-6-22-13)18-14(20)11-9-17-16-19(15(11)21)5-7-23-16/h5,7,9-10,12-13H,3-4,6,8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)oxan-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86798345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).