4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole

C14H18N4S — CID 171335410

IUPAC4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCN(c3ccccn3)CC2)sc1C
InChIInChI=1S/C14H18N4S/c1-11-12(2)19-14(16-11)18-9-7-17(8-10-18)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3
InChIKeyXXTXYXVFNWJYIR-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.48
Rot. Bonds2

About 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole

4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 171335410) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID171335410
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCN(c3ccccn3)CC2)sc1C
InChIInChI=1S/C14H18N4S/c1-11-12(2)19-14(16-11)18-9-7-17(8-10-18)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3
InChIKeyXXTXYXVFNWJYIR-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653
6-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122049016
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
CID 133391255
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
4-fluoro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083550
4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 133391264
[4-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692684
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110678855

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole (CID 171335410) is 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole is Cc1nc(N2CCN(c3ccccn3)CC2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is XXTXYXVFNWJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-11-12(2)19-14(16-11)18-9-7-17(8-10-18)13-5-3-4-6-15-13/h3-6H,7-10H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 274.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 171335410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).