2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole

C14H17N5S — CID 133366189

IUPAC2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(N2CCN(c3nnc(C4CC4)s3)CC2)nc1
InChIInChI=1S/C14H17N5S/c1-2-6-15-12(3-1)18-7-9-19(10-8-18)14-17-16-13(20-14)11-4-5-11/h1-3,6,11H,4-5,7-10H2
InChIKeyFHPOPWBDTPONJD-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.14
Rot. Bonds3

About 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole

2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 133366189) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID133366189
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESc1ccc(N2CCN(c3nnc(C4CC4)s3)CC2)nc1
InChIInChI=1S/C14H17N5S/c1-2-6-15-12(3-1)18-7-9-19(10-8-18)14-17-16-13(20-14)11-4-5-11/h1-3,6,11H,4-5,7-10H2
InChIKeyFHPOPWBDTPONJD-UHFFFAOYSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
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
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51053799
2-cyclopropyl-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 155981351
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126872877
2-cyclopropyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,3,4-thiadiazole
CID 133381572
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole (CID 133366189) is 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole is c1ccc(N2CCN(c3nnc(C4CC4)s3)CC2)nc1.
What is the InChIKey of 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is FHPOPWBDTPONJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-2-6-15-12(3-1)18-7-9-19(10-8-18)14-17-16-13(20-14)11-4-5-11/h1-3,6,11H,4-5,7-10H2.
What are the key properties of 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole?
2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 287.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 133366189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).