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

C14H15N3OS2 — CID 47096381

IUPACpyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CSc2nncs2)cc1)N1CCCC1
InChIInChI=1S/C14H15N3OS2/c18-13(17-7-1-2-8-17)12-5-3-11(4-6-12)9-19-14-16-15-10-20-14/h3-6,10H,1-2,7-9H2
InChIKeyNNHJJUPGZFEIIB-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.07
Rot. Bonds4

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

pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone (PubChem CID 47096381) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone
PubChem CID47096381
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Namepyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CSc2nncs2)cc1)N1CCCC1
InChIInChI=1S/C14H15N3OS2/c18-13(17-7-1-2-8-17)12-5-3-11(4-6-12)9-19-14-16-15-10-20-14/h3-6,10H,1-2,7-9H2
InChIKeyNNHJJUPGZFEIIB-UHFFFAOYSA-N
XLogP3.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 30931903
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32970583
azetidin-1-yl-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 78799249
2-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 47096414
pyrrolidin-1-yl-[4-[5-(1,3,4-thiadiazol-2-yl)thiophen-2-yl]phenyl]methanone
CID 123668802
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 32970266
phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32971255
[4-[1-(4-chlorophenyl)ethylsulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 55989288
[4-(pyrrolidine-1-carbonyl)phenyl]methyl N'-tert-butylcarbamimidothioate
CID 71898287

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone (CID 47096381) is pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone is O=C(c1ccc(CSc2nncs2)cc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone?
The InChIKey is NNHJJUPGZFEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c18-13(17-7-1-2-8-17)12-5-3-11(4-6-12)9-19-14-16-15-10-20-14/h3-6,10H,1-2,7-9H2.
What are the key properties of pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone?
pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone has a molecular weight of 305.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 47096381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).