2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

C17H24N4S — CID 51086625

IUPAC2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1
InChIInChI=1S/C17H24N4S/c1-14(2)17-19-16(13-22-17)12-21-9-7-20(8-10-21)11-15-5-3-4-6-18-15/h3-6,13-14H,7-12H2,1-2H3
InChIKeyFWOVTWMTRUZXKS-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.98
Rot. Bonds5

About 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 51086625) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID51086625
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1
InChIInChI=1S/C17H24N4S/c1-14(2)17-19-16(13-22-17)12-21-9-7-20(8-10-21)11-15-5-3-4-6-18-15/h3-6,13-14H,7-12H2,1-2H3
InChIKeyFWOVTWMTRUZXKS-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 51086625) is 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is CC(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FWOVTWMTRUZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-14(2)17-19-16(13-22-17)12-21-9-7-20(8-10-21)11-15-5-3-4-6-18-15/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 51086625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).