[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H21N5OS2 — CID 120646877

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3csc(CCN)n3)CC2)s1
InChIInChI=1S/C15H21N5OS2/c1-2-11-9-17-15(23-11)20-7-5-19(6-8-20)14(21)12-10-22-13(18-12)3-4-16/h9-10H,2-8,16H2,1H3
InChIKeyDGZIWZGUULTTPX-UHFFFAOYSA-N
MW351.50 g/mol
LogP1.63
Rot. Bonds5

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120646877) has the molecular formula C15H21N5OS2 and a molecular weight of 351.50 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID120646877
Molecular FormulaC15H21N5OS2
Molecular Weight351.50 g/mol
Exact Mass351.12
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3csc(CCN)n3)CC2)s1
InChIInChI=1S/C15H21N5OS2/c1-2-11-9-17-15(23-11)20-7-5-19(6-8-20)14(21)12-10-22-13(18-12)3-4-16/h9-10H,2-8,16H2,1H3
InChIKeyDGZIWZGUULTTPX-UHFFFAOYSA-N
XLogP1.63
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120642693
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641984
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 120629930
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66390323
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 120624458
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 66389168
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
CID 120640636

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 120646877) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCc1cnc(N2CCN(C(=O)c3csc(CCN)n3)CC2)s1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is DGZIWZGUULTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS2/c1-2-11-9-17-15(23-11)20-7-5-19(6-8-20)14(21)12-10-22-13(18-12)3-4-16/h9-10H,2-8,16H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 351.50 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).