N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide

C15H17N5O2S — CID 70716645

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C15H17N5O2S/c1-2-19(9-12-17-13(22-18-12)10-4-3-5-10)14(21)11-8-20-6-7-23-15(20)16-11/h6-8,10H,2-5,9H2,1H3
InChIKeyNHKGNLAASKKYIZ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.71
Rot. Bonds5

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70716645) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70716645
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C15H17N5O2S/c1-2-19(9-12-17-13(22-18-12)10-4-3-5-10)14(21)11-8-20-6-7-23-15(20)16-11/h6-8,10H,2-5,9H2,1H3
InChIKeyNHKGNLAASKKYIZ-UHFFFAOYSA-N
XLogP2.71
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70716645) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide is CCN(Cc1noc(C2CCC2)n1)C(=O)c1cn2ccsc2n1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is NHKGNLAASKKYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-2-19(9-12-17-13(22-18-12)10-4-3-5-10)14(21)11-8-20-6-7-23-15(20)16-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylimidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70716645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).