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

C10H18N4S — CID 82171608

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C10H18N4S/c1-2-13-3-5-14(6-4-13)8-9-7-12-10(11)15-9/h7H,2-6,8H2,1H3,(H2,11,12)
InChIKeyHRSPKXHOGMFHET-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.86
Rot. Bonds3

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

5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 82171608) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID82171608
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C10H18N4S/c1-2-13-3-5-14(6-4-13)8-9-7-12-10(11)15-9/h7H,2-6,8H2,1H3,(H2,11,12)
InChIKeyHRSPKXHOGMFHET-UHFFFAOYSA-N
XLogP0.86
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120898361
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899430
5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine
CID 137358353
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 82171608) is 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is CCN1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HRSPKXHOGMFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-13-3-5-14(6-4-13)8-9-7-12-10(11)15-9/h7H,2-6,8H2,1H3,(H2,11,12).
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82171608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).