5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine

C14H26N4S — CID 79772417

IUPAC5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCN(C(C)(C)C)CC2)s1
InChIInChI=1S/C14H26N4S/c1-5-15-13-16-10-12(19-13)11-17-6-8-18(9-7-17)14(2,3)4/h10H,5-9,11H2,1-4H3,(H,15,16)
InChIKeySQWZJMHVCWDSOL-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.49
Rot. Bonds4

About 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine

5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79772417) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79772417
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCN(C(C)(C)C)CC2)s1
InChIInChI=1S/C14H26N4S/c1-5-15-13-16-10-12(19-13)11-17-6-8-18(9-7-17)14(2,3)4/h10H,5-9,11H2,1-4H3,(H,15,16)
InChIKeySQWZJMHVCWDSOL-UHFFFAOYSA-N
XLogP2.49
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine (CID 79772417) is 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(CN2CCN(C(C)(C)C)CC2)s1.
What is the InChIKey of 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is SQWZJMHVCWDSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-15-13-16-10-12(19-13)11-17-6-8-18(9-7-17)14(2,3)4/h10H,5-9,11H2,1-4H3,(H,15,16).
What are the key properties of 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine?
5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79772417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).