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

C15H19N5OS — CID 91776924

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
SMILESNc1nnc(C(NC(=O)CN2CCCC2)c2ccccc2)s1
InChIInChI=1S/C15H19N5OS/c16-15-19-18-14(22-15)13(11-6-2-1-3-7-11)17-12(21)10-20-8-4-5-9-20/h1-3,6-7,13H,4-5,8-10H2,(H2,16,19)(H,17,21)
InChIKeyXJGXSVUJKSCEPY-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.42
Rot. Bonds5

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

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 91776924) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID91776924
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
SMILESNc1nnc(C(NC(=O)CN2CCCC2)c2ccccc2)s1
InChIInChI=1S/C15H19N5OS/c16-15-19-18-14(22-15)13(11-6-2-1-3-7-11)17-12(21)10-20-8-4-5-9-20/h1-3,6-7,13H,4-5,8-10H2,(H2,16,19)(H,17,21)
InChIKeyXJGXSVUJKSCEPY-UHFFFAOYSA-N
XLogP1.42
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91778355
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126428451
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 91791956
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91761835
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95871532
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70737078
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770993
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
CID 95140346
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide (CID 91776924) is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide is Nc1nnc(C(NC(=O)CN2CCCC2)c2ccccc2)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is XJGXSVUJKSCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c16-15-19-18-14(22-15)13(11-6-2-1-3-7-11)17-12(21)10-20-8-4-5-9-20/h1-3,6-7,13H,4-5,8-10H2,(H2,16,19)(H,17,21).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 317.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91776924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).