[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

C15H19ClN4O2S2 — CID 120624522

IUPAC[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cs1
InChIInChI=1S/C15H18N4O2S2.ClH/c16-3-1-13-17-12(10-23-13)15(21)19-6-4-18(5-7-19)14(20)11-2-8-22-9-11;/h2,8-10H,1,3-7,16H2;1H
InChIKeyAUTITVXKHYJBEQ-UHFFFAOYSA-N
MW386.93 g/mol
LogP1.73
Rot. Bonds4

About [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (PubChem CID 120624522) has the molecular formula C15H19ClN4O2S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
PubChem CID120624522
Molecular FormulaC15H19ClN4O2S2
Molecular Weight386.93 g/mol
Exact Mass386.06
IUPAC Name[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cs1
InChIInChI=1S/C15H18N4O2S2.ClH/c16-3-1-13-17-12(10-23-13)15(21)19-6-4-18(5-7-19)14(20)11-2-8-22-9-11;/h2,8-10H,1,3-7,16H2;1H
InChIKeyAUTITVXKHYJBEQ-UHFFFAOYSA-N
XLogP1.73
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 120618193
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
[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-(2,6-difluorobenzoyl)piperazin-1-yl]methanone
CID 120626679
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 120622878
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
[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-(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
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(cyclohexylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641312

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The IUPAC name of [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (CID 120624522) is [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is Cl.NCCc1nc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cs1.
What is the InChIKey of [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The InChIKey is AUTITVXKHYJBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2.ClH/c16-3-1-13-17-12(10-23-13)15(21)19-6-4-18(5-7-19)14(20)11-2-8-22-9-11;/h2,8-10H,1,3-7,16H2;1H.
What are the key properties of [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride has a molecular weight of 386.93 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is sourced from PubChem (CID 120624522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).