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

C16H24N4S — CID 71983438

IUPAC5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCN(CCc3ccncc3)CC2)S1
InChIInChI=1S/C16H24N4S/c1-16(2)13-18-15(21-16)20-11-9-19(10-12-20)8-5-14-3-6-17-7-4-14/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyCHUYUNLZOQBFAU-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.12
Rot. Bonds3

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

5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole (PubChem CID 71983438) 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-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
PubChem CID71983438
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCN(CCc3ccncc3)CC2)S1
InChIInChI=1S/C16H24N4S/c1-16(2)13-18-15(21-16)20-11-9-19(10-12-20)8-5-14-3-6-17-7-4-14/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyCHUYUNLZOQBFAU-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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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
The IUPAC name of 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole (CID 71983438) is 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole.
What is the SMILES notation for 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
The canonical SMILES for 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole is CC1(C)CN=C(N2CCN(CCc3ccncc3)CC2)S1.
What is the InChIKey of 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
The InChIKey is CHUYUNLZOQBFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2)13-18-15(21-16)20-11-9-19(10-12-20)8-5-14-3-6-17-7-4-14/h3-4,6-7H,5,8-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole?
5,5-dimethyl-2-[4-(2-pyridin-4-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-4-ylethyl)piperazin-1-yl]-4H-1,3-thiazole is sourced from PubChem (CID 71983438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).