3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide

C19H24FN3O2S — CID 3212623

IUPAC3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H24FN3O2S/c1-25-13-12-23(17(24)11-6-14-4-2-3-5-14)19-22-21-18(26-19)15-7-9-16(20)10-8-15/h7-10,14H,2-6,11-13H2,1H3
InChIKeyHOHCXSWNASDKQG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.29
Rot. Bonds8

About 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide

3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 3212623) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide
PubChem CID3212623
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H24FN3O2S/c1-25-13-12-23(17(24)11-6-14-4-2-3-5-14)19-22-21-18(26-19)15-7-9-16(20)10-8-15/h7-10,14H,2-6,11-13H2,1H3
InChIKeyHOHCXSWNASDKQG-UHFFFAOYSA-N
XLogP4.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide (CID 3212623) is 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide is COCCN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is HOHCXSWNASDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-25-13-12-23(17(24)11-6-14-4-2-3-5-14)19-22-21-18(26-19)15-7-9-16(20)10-8-15/h7-10,14H,2-6,11-13H2,1H3.
What are the key properties of 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide?
3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 3212623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).