N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide

C16H19N3O2S — CID 56782378

IUPACN-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
SMILESCCC(c1ccccc1)c1nnc(NC(=O)C2CCOC2)s1
InChIInChI=1S/C16H19N3O2S/c1-2-13(11-6-4-3-5-7-11)15-18-19-16(22-15)17-14(20)12-8-9-21-10-12/h3-7,12-13H,2,8-10H2,1H3,(H,17,19,20)
InChIKeyANHVUNMVPXGZSP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.06
Rot. Bonds5

About N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide

N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide (PubChem CID 56782378) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
PubChem CID56782378
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
SMILESCCC(c1ccccc1)c1nnc(NC(=O)C2CCOC2)s1
InChIInChI=1S/C16H19N3O2S/c1-2-13(11-6-4-3-5-7-11)15-18-19-16(22-15)17-14(20)12-8-9-21-10-12/h3-7,12-13H,2,8-10H2,1H3,(H,17,19,20)
InChIKeyANHVUNMVPXGZSP-UHFFFAOYSA-N
XLogP3.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide
CID 95614654
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 929372
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
1-[[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122079659
4-chloro-N-[5-[(1R)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1327524
1-(2-hydroxyethyl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111431679
1-(1-hydroxypropan-2-yl)-1-methyl-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 110010407
2-methoxy-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1389058
1-(1,2-oxazol-3-ylmethyl)-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 71981545
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
ethyl (3S)-3-(oxolane-3-carbonylamino)-3-phenylpropanoate
CID 58782549

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide (CID 56782378) is N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide is CCC(c1ccccc1)c1nnc(NC(=O)C2CCOC2)s1.
What is the InChIKey of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
The InChIKey is ANHVUNMVPXGZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-13(11-6-4-3-5-7-11)15-18-19-16(22-15)17-14(20)12-8-9-21-10-12/h3-7,12-13H,2,8-10H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide?
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 56782378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).