3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

C16H22N4O3S — CID 91100751

IUPAC3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCOc1cc(O)n(C(CC2CCCC2)C(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C16H22N4O3S/c1-10-17-16(24-19-10)18-15(22)13(7-11-5-3-4-6-11)20-9-12(23-2)8-14(20)21/h8-9,11,13,21H,3-7H2,1-2H3,(H,17,18,19,22)
InChIKeyGIJVVYFBYVARID-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.12
Rot. Bonds6

About 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 91100751) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID91100751
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCOc1cc(O)n(C(CC2CCCC2)C(=O)Nc2nc(C)ns2)c1
InChIInChI=1S/C16H22N4O3S/c1-10-17-16(24-19-10)18-15(22)13(7-11-5-3-4-6-11)20-9-12(23-2)8-14(20)21/h8-9,11,13,21H,3-7H2,1-2H3,(H,17,18,19,22)
InChIKeyGIJVVYFBYVARID-UHFFFAOYSA-N
XLogP3.12
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 91100751) is 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is COc1cc(O)n(C(CC2CCCC2)C(=O)Nc2nc(C)ns2)c1.
What is the InChIKey of 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is GIJVVYFBYVARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10-17-16(24-19-10)18-15(22)13(7-11-5-3-4-6-11)20-9-12(23-2)8-14(20)21/h8-9,11,13,21H,3-7H2,1-2H3,(H,17,18,19,22).
What are the key properties of 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 350.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 91100751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).