3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide

C16H19N3O2S — CID 71919174

IUPAC3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCO1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H19N3O2S/c20-14(9-8-13-7-4-10-21-13)17-11-15-18-19-16(22-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,20)
InChIKeyFCNOPGRSSWBGDD-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.78
Rot. Bonds6

About 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide

3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide (PubChem CID 71919174) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
PubChem CID71919174
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
SMILESO=C(CCC1CCCO1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H19N3O2S/c20-14(9-8-13-7-4-10-21-13)17-11-15-18-19-16(22-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,20)
InChIKeyFCNOPGRSSWBGDD-UHFFFAOYSA-N
XLogP2.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 95208034
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992577
2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 154751637

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide (CID 71919174) is 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide is O=C(CCC1CCCO1)NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide?
The InChIKey is FCNOPGRSSWBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-14(9-8-13-7-4-10-21-13)17-11-15-18-19-16(22-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,20).
What are the key properties of 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide?
3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 71919174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).