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

C11H13N3O3S — CID 17248313

IUPACN-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-7(6-17-2)13-9(15)8-5-12-11-14(10(8)16)3-4-18-11/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyCZVGIHXINVREER-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.52
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248313) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248313
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-7(6-17-2)13-9(15)8-5-12-11-14(10(8)16)3-4-18-11/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyCZVGIHXINVREER-UHFFFAOYSA-N
XLogP0.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248313) is N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCC(C)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CZVGIHXINVREER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7(6-17-2)13-9(15)8-5-12-11-14(10(8)16)3-4-18-11/h3-5,7H,6H2,1-2H3,(H,13,15).
What are the key properties of N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).