(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone

C18H16ClN5OS — CID 18787143

IUPAC(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone
SMILESO=C(c1nsc(N2CCN(c3ccccn3)CC2)n1)c1ccccc1Cl
InChIInChI=1S/C18H16ClN5OS/c19-14-6-2-1-5-13(14)16(25)17-21-18(26-22-17)24-11-9-23(10-12-24)15-7-3-4-8-20-15/h1-8H,9-12H2
InChIKeyXRNMUSHVONYWBW-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.14
Rot. Bonds4

About (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone

(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone (PubChem CID 18787143) has the molecular formula C18H16ClN5OS and a molecular weight of 385.88 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone
PubChem CID18787143
Molecular FormulaC18H16ClN5OS
Molecular Weight385.88 g/mol
Exact Mass385.08
IUPAC Name(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone
SMILESO=C(c1nsc(N2CCN(c3ccccn3)CC2)n1)c1ccccc1Cl
InChIInChI=1S/C18H16ClN5OS/c19-14-6-2-1-5-13(14)16(25)17-21-18(26-22-17)24-11-9-23(10-12-24)15-7-3-4-8-20-15/h1-8H,9-12H2
InChIKeyXRNMUSHVONYWBW-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone (CID 18787143) is (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone is O=C(c1nsc(N2CCN(c3ccccn3)CC2)n1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone?
The InChIKey is XRNMUSHVONYWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5OS/c19-14-6-2-1-5-13(14)16(25)17-21-18(26-22-17)24-11-9-23(10-12-24)15-7-3-4-8-20-15/h1-8H,9-12H2.
What are the key properties of (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone?
(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone has a molecular weight of 385.88 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone is sourced from PubChem (CID 18787143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).