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

C15H17ClN4S — CID 133381827

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESClc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C15H17ClN4S/c16-12-3-1-2-4-13(12)19-7-9-20(10-8-19)15-18-17-14(21-15)11-5-6-11/h1-4,11H,5-10H2
InChIKeyVSBAYOROQSHRBK-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.40
Rot. Bonds3

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

2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole (PubChem CID 133381827) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
PubChem CID133381827
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
SMILESClc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C15H17ClN4S/c16-12-3-1-2-4-13(12)19-7-9-20(10-8-19)15-18-17-14(21-15)11-5-6-11/h1-4,11H,5-10H2
InChIKeyVSBAYOROQSHRBK-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 155981351
2-(4-benzylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365872
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
CID 133366189
2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133382414
2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133381572
2-(4-benzylsulfonylpiperazin-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 71850455
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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]sulfonyl-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene
CID 133382506
2-cyclopropyl-5-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1,3,4-thiadiazole
CID 133382033
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole (CID 133381827) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole is Clc1ccccc1N1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
The InChIKey is VSBAYOROQSHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c16-12-3-1-2-4-13(12)19-7-9-20(10-8-19)15-18-17-14(21-15)11-5-6-11/h1-4,11H,5-10H2.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole?
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole has a molecular weight of 320.85 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole is sourced from PubChem (CID 133381827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).