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

C11H13N3O2S — CID 17248282

IUPACN-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-7(2)13-9(15)8-6-12-11-14(10(8)16)4-5-17-11/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyDLNSWMSYALJONK-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.28
Rot. Bonds3

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

N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248282) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248282
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O2S/c1-3-7(2)13-9(15)8-6-12-11-14(10(8)16)4-5-17-11/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyDLNSWMSYALJONK-UHFFFAOYSA-N
XLogP1.28
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248282) is N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(C)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DLNSWMSYALJONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-7(2)13-9(15)8-6-12-11-14(10(8)16)4-5-17-11/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).