5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole

C16H24N4S — CID 71973108

IUPAC5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCN(CCc3ccccn3)CC2)S1
InChIInChI=1S/C16H24N4S/c1-16(2)13-18-15(21-16)20-11-9-19(10-12-20)8-6-14-5-3-4-7-17-14/h3-5,7H,6,8-13H2,1-2H3
InChIKeyFYLJXNDUTVBTQY-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.12
Rot. Bonds3

About 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole

5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole (PubChem CID 71973108) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
PubChem CID71973108
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCN(CCc3ccccn3)CC2)S1
InChIInChI=1S/C16H24N4S/c1-16(2)13-18-15(21-16)20-11-9-19(10-12-20)8-6-14-5-3-4-7-17-14/h3-5,7H,6,8-13H2,1-2H3
InChIKeyFYLJXNDUTVBTQY-UHFFFAOYSA-N
XLogP2.12
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
CID 71983438
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
5-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-2-amine
CID 60892816
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
1'-(2-pyridin-2-ylethyl)spiro[4H-1,3-benzodithiine-2,4'-piperidine]
CID 19045491
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
The IUPAC name of 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole (CID 71973108) is 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole.
What is the SMILES notation for 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
The canonical SMILES for 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole is CC1(C)CN=C(N2CCN(CCc3ccccn3)CC2)S1.
What is the InChIKey of 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
The InChIKey is FYLJXNDUTVBTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2)13-18-15(21-16)20-11-9-19(10-12-20)8-6-14-5-3-4-7-17-14/h3-5,7H,6,8-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole has a molecular weight of 304.46 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-4H-1,3-thiazole is sourced from PubChem (CID 71973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).