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

C15H18N4OS — CID 119816657

IUPACN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS/c20-13(9-12-7-4-8-16-12)17-10-14-18-19-15(21-14)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H,17,20)
InChIKeyVLHNVLORBDWVKI-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.96
Rot. Bonds5

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

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119816657) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119816657
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS/c20-13(9-12-7-4-8-16-12)17-10-14-18-19-15(21-14)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H,17,20)
InChIKeyVLHNVLORBDWVKI-UHFFFAOYSA-N
XLogP1.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940374
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
CID 119816640
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897347
(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
CID 120936771
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119816657) is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is VLHNVLORBDWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-13(9-12-7-4-8-16-12)17-10-14-18-19-15(21-14)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H,17,20).
What are the key properties of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 302.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119816657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).