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

C12H17N3O2S — CID 23935765

IUPAC5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CC)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O2S/c1-3-8(4-2)14-10(16)9-7-13-12-15(11(9)17)5-6-18-12/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyDTSFGPBGBJBLEE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.27
Rot. Bonds4

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

5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 23935765) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID23935765
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(CC)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O2S/c1-3-8(4-2)14-10(16)9-7-13-12-15(11(9)17)5-6-18-12/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyDTSFGPBGBJBLEE-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 23935765) is 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(CC)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DTSFGPBGBJBLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-8(4-2)14-10(16)9-7-13-12-15(11(9)17)5-6-18-12/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-pentan-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 23935765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).