5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

C14H18N4S — CID 79015163

IUPAC5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H18N4S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,15,16)
InChIKeyXEIOAZRXDZXNEO-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.05
Rot. Bonds3

About 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79015163) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79015163
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H18N4S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,15,16)
InChIKeyXEIOAZRXDZXNEO-UHFFFAOYSA-N
XLogP2.05
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 79015163) is 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XEIOAZRXDZXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c15-14-16-10-13(19-14)11-17-6-8-18(9-7-17)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,15,16).
What are the key properties of 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79015163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).