1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine

C16H22N4S — CID 106313009

IUPAC1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
SMILESCc1ccc(C(N)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C16H22N4S/c1-13-2-4-14(5-3-13)15(17)12-19-7-9-20(10-8-19)16-18-6-11-21-16/h2-6,11,15H,7-10,12,17H2,1H3
InChIKeyJBFXUIHWLDSNJM-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.27
Rot. Bonds4

About 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine

1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine (PubChem CID 106313009) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
PubChem CID106313009
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
SMILESCc1ccc(C(N)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C16H22N4S/c1-13-2-4-14(5-3-13)15(17)12-19-7-9-20(10-8-19)16-18-6-11-21-16/h2-6,11,15H,7-10,12,17H2,1H3
InChIKeyJBFXUIHWLDSNJM-UHFFFAOYSA-N
XLogP2.27
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
CID 43211438
2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62425655
N'-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111085992
(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63368236
3-amino-3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 119953404
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318325
1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 43110460

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine (CID 106313009) is 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine is Cc1ccc(C(N)CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
The InChIKey is JBFXUIHWLDSNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-13-2-4-14(5-3-13)15(17)12-19-7-9-20(10-8-19)16-18-6-11-21-16/h2-6,11,15H,7-10,12,17H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine?
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine has a molecular weight of 302.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 106313009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).