[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride

C15H22ClN5O4S2 — CID 120618874

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(CCN)n2)CC1.Cl
InChIInChI=1S/C15H21N5O4S2.ClH/c1-10-14(11(2)24-18-10)26(22,23)20-7-5-19(6-8-20)15(21)12-9-25-13(17-12)3-4-16;/h9H,3-8,16H2,1-2H3;1H
InChIKeyKVMQMVQNMNSXDG-UHFFFAOYSA-N
MW435.96 g/mol
LogP0.82
Rot. Bonds5

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 120618874) has the molecular formula C15H22ClN5O4S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID120618874
Molecular FormulaC15H22ClN5O4S2
Molecular Weight435.96 g/mol
Exact Mass435.08
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(CCN)n2)CC1.Cl
InChIInChI=1S/C15H21N5O4S2.ClH/c1-10-14(11(2)24-18-10)26(22,23)20-7-5-19(6-8-20)15(21)12-9-25-13(17-12)3-4-16;/h9H,3-8,16H2,1-2H3;1H
InChIKeyKVMQMVQNMNSXDG-UHFFFAOYSA-N
XLogP0.82
TPSA122.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 120624458
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120642693
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9150779
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 55428665
(4-aminophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119697352
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 120618193
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
ethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoacetate
CID 110328637
(3-aminophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride
CID 119694725
(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119694717

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride (CID 120618874) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(CCN)n2)CC1.Cl.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is KVMQMVQNMNSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S2.ClH/c1-10-14(11(2)24-18-10)26(22,23)20-7-5-19(6-8-20)15(21)12-9-25-13(17-12)3-4-16;/h9H,3-8,16H2,1-2H3;1H.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120618874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).