2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole

C15H16ClN3OS — CID 133406355

IUPAC2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESClc1cccc(OC2CCN(c3nnc(C4CC4)s3)C2)c1
InChIInChI=1S/C15H16ClN3OS/c16-11-2-1-3-12(8-11)20-13-6-7-19(9-13)15-18-17-14(21-15)10-4-5-10/h1-3,8,10,13H,4-7,9H2
InChIKeyMWCKMSMYZGJMHK-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.73
Rot. Bonds4

About 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole

2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 133406355) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID133406355
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESClc1cccc(OC2CCN(c3nnc(C4CC4)s3)C2)c1
InChIInChI=1S/C15H16ClN3OS/c16-11-2-1-3-12(8-11)20-13-6-7-19(9-13)15-18-17-14(21-15)10-4-5-10/h1-3,8,10,13H,4-7,9H2
InChIKeyMWCKMSMYZGJMHK-UHFFFAOYSA-N
XLogP3.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole 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

2-tert-butyl-5-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133406440
4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile
CID 71968120
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole
CID 133406479
2-[(4-chlorophenyl)methyl]-5-(3-pyridin-3-yloxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133494666
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133406480
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 163345458

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole (CID 133406355) is 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole is Clc1cccc(OC2CCN(c3nnc(C4CC4)s3)C2)c1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is MWCKMSMYZGJMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-11-2-1-3-12(8-11)20-13-6-7-19(9-13)15-18-17-14(21-15)10-4-5-10/h1-3,8,10,13H,4-7,9H2.
What are the key properties of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 321.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 133406355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).