4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole

C14H25N3S — CID 116891607

IUPAC4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CC(C)(C)N2CCNCC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(2)13-16-12(10-18-13)9-14(3,4)17-7-5-15-6-8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyHBABGUQTARPTTP-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.49
Rot. Bonds4

About 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole

4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 116891607) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole
PubChem CID116891607
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(CC(C)(C)N2CCNCC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(2)13-16-12(10-18-13)9-14(3,4)17-7-5-15-6-8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyHBABGUQTARPTTP-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole (CID 116891607) is 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(CC(C)(C)N2CCNCC2)cs1.
What is the InChIKey of 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is HBABGUQTARPTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)13-16-12(10-18-13)9-14(3,4)17-7-5-15-6-8-17/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole?
4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116891607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).