N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C15H16N4O2S — CID 118781070

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)c1cc2sccc2[nH]1
InChIInChI=1S/C15H16N4O2S/c1-19(6-4-13-17-14(21-18-13)9-2-3-9)15(20)11-8-12-10(16-11)5-7-22-12/h5,7-9,16H,2-4,6H2,1H3
InChIKeyHFWYNNWIKMEXLZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 118781070) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID118781070
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)c1cc2sccc2[nH]1
InChIInChI=1S/C15H16N4O2S/c1-19(6-4-13-17-14(21-18-13)9-2-3-9)15(20)11-8-12-10(16-11)5-7-22-12/h5,7-9,16H,2-4,6H2,1H3
InChIKeyHFWYNNWIKMEXLZ-UHFFFAOYSA-N
XLogP2.80
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 118781070) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is CN(CCc1noc(C2CC2)n1)C(=O)c1cc2sccc2[nH]1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HFWYNNWIKMEXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-19(6-4-13-17-14(21-18-13)9-2-3-9)15(20)11-8-12-10(16-11)5-7-22-12/h5,7-9,16H,2-4,6H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 118781070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).