2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole

C17H22N4S — CID 155981351

IUPAC2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccc(N2CCN(c3nnc(C4CC4)s3)CC2)c1C
InChIInChI=1S/C17H22N4S/c1-12-4-3-5-15(13(12)2)20-8-10-21(11-9-20)17-19-18-16(22-17)14-6-7-14/h3-5,14H,6-11H2,1-2H3
InChIKeyUFPJXMFQPGQSNF-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.36
Rot. Bonds3

About 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 155981351) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID155981351
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccc(N2CCN(c3nnc(C4CC4)s3)CC2)c1C
InChIInChI=1S/C17H22N4S/c1-12-4-3-5-15(13(12)2)20-8-10-21(11-9-20)17-19-18-16(22-17)14-6-7-14/h3-5,14H,6-11H2,1-2H3
InChIKeyUFPJXMFQPGQSNF-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126872877
2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
2-cyclopropyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133381641
2-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133383591
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
2-chloro-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 80610152
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133382414
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 127624784
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 163352969
N-cyclopentyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112868654
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole (CID 155981351) is 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole is Cc1cccc(N2CCN(c3nnc(C4CC4)s3)CC2)c1C.
What is the InChIKey of 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is UFPJXMFQPGQSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-12-4-3-5-15(13(12)2)20-8-10-21(11-9-20)17-19-18-16(22-17)14-6-7-14/h3-5,14H,6-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 314.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 155981351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).