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

C11H20N4S — CID 82515423

IUPAC[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCCN1CCN(Cc2nc(CN)cs2)CC1
InChIInChI=1S/C11H20N4S/c1-2-14-3-5-15(6-4-14)8-11-13-10(7-12)9-16-11/h9H,2-8,12H2,1H3
InChIKeyBSUNKQSYLCENNJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.74
Rot. Bonds4

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

[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 82515423) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID82515423
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCCN1CCN(Cc2nc(CN)cs2)CC1
InChIInChI=1S/C11H20N4S/c1-2-14-3-5-15(6-4-14)8-11-13-10(7-12)9-16-11/h9H,2-8,12H2,1H3
InChIKeyBSUNKQSYLCENNJ-UHFFFAOYSA-N
XLogP0.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
1-((1,3-Thiazol-4-yl)methyl)piperazine
CID 28781798
(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine (CID 82515423) is [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine is CCN1CCN(Cc2nc(CN)cs2)CC1.
What is the InChIKey of [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is BSUNKQSYLCENNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-14-3-5-15(6-4-14)8-11-13-10(7-12)9-16-11/h9H,2-8,12H2,1H3.
What are the key properties of [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82515423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).