[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone

C19H25N5OS — CID 167993087

IUPAC[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
SMILESCc1ccccc1-c1nsc(N2CCC(C(=O)N3CCNCC3)CC2)n1
InChIInChI=1S/C19H25N5OS/c1-14-4-2-3-5-16(14)17-21-19(26-22-17)24-10-6-15(7-11-24)18(25)23-12-8-20-9-13-23/h2-5,15,20H,6-13H2,1H3
InChIKeyFEJACGNVSKMFQT-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.16
Rot. Bonds3

About [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone

[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 167993087) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
PubChem CID167993087
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
SMILESCc1ccccc1-c1nsc(N2CCC(C(=O)N3CCNCC3)CC2)n1
InChIInChI=1S/C19H25N5OS/c1-14-4-2-3-5-16(14)17-21-19(26-22-17)24-10-6-15(7-11-24)18(25)23-12-8-20-9-13-23/h2-5,15,20H,6-13H2,1H3
InChIKeyFEJACGNVSKMFQT-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone (CID 167993087) is [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone is Cc1ccccc1-c1nsc(N2CCC(C(=O)N3CCNCC3)CC2)n1.
What is the InChIKey of [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is FEJACGNVSKMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-14-4-2-3-5-16(14)17-21-19(26-22-17)24-10-6-15(7-11-24)18(25)23-12-8-20-9-13-23/h2-5,15,20H,6-13H2,1H3.
What are the key properties of [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
[1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 371.51 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 167993087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).