pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone

C17H15N3OS2 — CID 123668802

IUPACpyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(-c3nncs3)s2)cc1)N1CCCC1
InChIInChI=1S/C17H15N3OS2/c21-17(20-9-1-2-10-20)13-5-3-12(4-6-13)14-7-8-15(23-14)16-19-18-11-22-16/h3-8,11H,1-2,9-10H2
InChIKeyQNAZKYXCQPFZII-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.17
Rot. Bonds3

About pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone

pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone (PubChem CID 123668802) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone
PubChem CID123668802
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Namepyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(-c3nncs3)s2)cc1)N1CCCC1
InChIInChI=1S/C17H15N3OS2/c21-17(20-9-1-2-10-20)13-5-3-12(4-6-13)14-7-8-15(23-14)16-19-18-11-22-16/h3-8,11H,1-2,9-10H2
InChIKeyQNAZKYXCQPFZII-UHFFFAOYSA-N
XLogP4.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 47096381
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 8869673
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957477
5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
CID 169403975
[4-(1-methyltetrazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 71688433
2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
CID 68507690
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone (CID 123668802) is pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone is O=C(c1ccc(-c2ccc(-c3nncs3)s2)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone?
The InChIKey is QNAZKYXCQPFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c21-17(20-9-1-2-10-20)13-5-3-12(4-6-13)14-7-8-15(23-14)16-19-18-11-22-16/h3-8,11H,1-2,9-10H2.
What are the key properties of pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone?
pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone has a molecular weight of 341.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone is sourced from PubChem (CID 123668802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).