2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide

C19H19N3O2S — CID 1389058

IUPAC2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C19H19N3O2S/c1-3-14(13-9-5-4-6-10-13)18-21-22-19(25-18)20-17(23)15-11-7-8-12-16(15)24-2/h4-12,14H,3H2,1-2H3,(H,20,22,23)/t14-/m0/s1
InChIKeyWKUOAULFFPWXNY-AWEZNQCLSA-N
MW353.45 g/mol
LogP4.34
Rot. Bonds6

About 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide

2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1389058) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1389058
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C19H19N3O2S/c1-3-14(13-9-5-4-6-10-13)18-21-22-19(25-18)20-17(23)15-11-7-8-12-16(15)24-2/h4-12,14H,3H2,1-2H3,(H,20,22,23)/t14-/m0/s1
InChIKeyWKUOAULFFPWXNY-AWEZNQCLSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1401373
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
2-[[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61285140
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374
1-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2895646
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 929372
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111431679
1-(1,2-oxazol-3-ylmethyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 71981545

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 1389058) is 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide is CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2OC)s1.
What is the InChIKey of 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is WKUOAULFFPWXNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-14(13-9-5-4-6-10-13)18-21-22-19(25-18)20-17(23)15-11-7-8-12-16(15)24-2/h4-12,14H,3H2,1-2H3,(H,20,22,23)/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide?
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1389058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).