[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C18H20N6OS — CID 118771311

IUPAC[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H20N6OS/c25-18(16-3-1-2-15(12-16)17-20-4-11-26-17)23-8-5-22(6-9-23)7-10-24-14-19-13-21-24/h1-4,11-14H,5-10H2
InChIKeyKYQCOEVBLWIPLH-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.86
Rot. Bonds5

About [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 118771311) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID118771311
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H20N6OS/c25-18(16-3-1-2-15(12-16)17-20-4-11-26-17)23-8-5-22(6-9-23)7-10-24-14-19-13-21-24/h1-4,11-14H,5-10H2
InChIKeyKYQCOEVBLWIPLH-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 119059176
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
[3-(hydroxymethyl)morpholin-4-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 118760713
(3R)-N,N-diethyl-1-[3-(1,3-thiazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 126448230
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 118771311) is [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(c1cccc(-c2nccs2)c1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is KYQCOEVBLWIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(16-3-1-2-15(12-16)17-20-4-11-26-17)23-8-5-22(6-9-23)7-10-24-14-19-13-21-24/h1-4,11-14H,5-10H2.
What are the key properties of [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118771311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).