2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole

C16H18N6S2 — CID 133476364

IUPAC2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESCC(c1nccs1)N1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C16H18N6S2/c1-12(14-18-6-11-23-14)21-7-9-22(10-8-21)16-20-19-15(24-16)13-4-2-3-5-17-13/h2-6,11-12H,7-10H2,1H3
InChIKeyDQJXTHILXDNWHE-UHFFFAOYSA-N
MW358.50 g/mol
LogP2.94
Rot. Bonds4

About 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole

2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133476364) has the molecular formula C16H18N6S2 and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133476364
Molecular FormulaC16H18N6S2
Molecular Weight358.50 g/mol
Exact Mass358.10
IUPAC Name2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESCC(c1nccs1)N1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C16H18N6S2/c1-12(14-18-6-11-23-14)21-7-9-22(10-8-21)16-20-19-15(24-16)13-4-2-3-5-17-13/h2-6,11-12H,7-10H2,1H3
InChIKeyDQJXTHILXDNWHE-UHFFFAOYSA-N
XLogP2.94
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467685
2-(4-ethyl-1,4-diazepan-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133454665
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133455049
2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476438
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467171
2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 75477890
methyl 4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 133476650
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
(3-hydroxyphenyl)-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133443143

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole (CID 133476364) is 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole is CC(c1nccs1)N1CCN(c2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is DQJXTHILXDNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S2/c1-12(14-18-6-11-23-14)21-7-9-22(10-8-21)16-20-19-15(24-16)13-4-2-3-5-17-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole?
2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 358.50 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133476364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).