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

C12H13N3O2S — CID 3597684

IUPACN-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O2S/c16-10(14-8-3-1-2-4-8)9-7-13-12-15(11(9)17)5-6-18-12/h5-8H,1-4H2,(H,14,16)
InChIKeyDNZDNKJJTWCGDU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.43
Rot. Bonds2

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

N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3597684) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3597684
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O2S/c16-10(14-8-3-1-2-4-8)9-7-13-12-15(11(9)17)5-6-18-12/h5-8H,1-4H2,(H,14,16)
InChIKeyDNZDNKJJTWCGDU-UHFFFAOYSA-N
XLogP1.43
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3597684) is N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DNZDNKJJTWCGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-10(14-8-3-1-2-4-8)9-7-13-12-15(11(9)17)5-6-18-12/h5-8H,1-4H2,(H,14,16).
What are the key properties of N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3597684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).