4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride

C14H27Cl2N3OS — CID 21392456

IUPAC4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride
SMILESCOCCN1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl.Cl
InChIInChI=1S/C14H25N3OS.2ClH/c1-14(2,3)12-11-19-13(15-12)17-7-5-16(6-8-17)9-10-18-4;;/h11H,5-10H2,1-4H3;2*1H
InChIKeySKHJPILPHOQEPS-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.05
Rot. Bonds4

About 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride

4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride (PubChem CID 21392456) has the molecular formula C14H27Cl2N3OS and a molecular weight of 356.36 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride
PubChem CID21392456
Molecular FormulaC14H27Cl2N3OS
Molecular Weight356.36 g/mol
Exact Mass355.13
IUPAC Name4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride
SMILESCOCCN1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl.Cl
InChIInChI=1S/C14H25N3OS.2ClH/c1-14(2,3)12-11-19-13(15-12)17-7-5-16(6-8-17)9-10-18-4;;/h11H,5-10H2,1-4H3;2*1H
InChIKeySKHJPILPHOQEPS-UHFFFAOYSA-N
XLogP3.05
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride (CID 21392456) is 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride is COCCN1CCN(c2nc(C(C)(C)C)cs2)CC1.Cl.Cl.
What is the InChIKey of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride?
The InChIKey is SKHJPILPHOQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS.2ClH/c1-14(2,3)12-11-19-13(15-12)17-7-5-16(6-8-17)9-10-18-4;;/h11H,5-10H2,1-4H3;2*1H.
What are the key properties of 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride?
4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride has a molecular weight of 356.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 21392456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).