7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C12H11N5O3S — CID 157014856

IUPAC7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(=O)nc3sccn23)o1
InChIInChI=1S/C12H11N5O3S/c1-2-3-9-15-16-11(20-9)14-10(19)7-6-8(18)13-12-17(7)4-5-21-12/h4-6H,2-3H2,1H3,(H,14,16,19)
InChIKeyDHLPMWGFSVQBKN-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.34
Rot. Bonds4

About 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 157014856) has the molecular formula C12H11N5O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID157014856
Molecular FormulaC12H11N5O3S
Molecular Weight305.32 g/mol
Exact Mass305.06
IUPAC Name7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(=O)nc3sccn23)o1
InChIInChI=1S/C12H11N5O3S/c1-2-3-9-15-16-11(20-9)14-10(19)7-6-8(18)13-12-17(7)4-5-21-12/h4-6H,2-3H2,1H3,(H,14,16,19)
InChIKeyDHLPMWGFSVQBKN-UHFFFAOYSA-N
XLogP1.34
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 157014856) is 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CCCc1nnc(NC(=O)c2cc(=O)nc3sccn23)o1.
What is the InChIKey of 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is DHLPMWGFSVQBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S/c1-2-3-9-15-16-11(20-9)14-10(19)7-6-8(18)13-12-17(7)4-5-21-12/h4-6H,2-3H2,1H3,(H,14,16,19).
What are the key properties of 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 305.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 157014856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).