[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

C14H21Cl2N5O2S — CID 119399321

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)c3csc(CN)n3)CC2)on1.Cl.Cl
InChIInChI=1S/C14H19N5O2S.2ClH/c1-10-6-11(21-17-10)8-18-2-4-19(5-3-18)14(20)12-9-22-13(7-15)16-12;;/h6,9H,2-5,7-8,15H2,1H3;2*1H
InChIKeyFEXZWNUGSYFZPL-UHFFFAOYSA-N
MW394.33 g/mol
LogP1.70
Rot. Bonds4

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119399321) has the molecular formula C14H21Cl2N5O2S and a molecular weight of 394.33 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID119399321
Molecular FormulaC14H21Cl2N5O2S
Molecular Weight394.33 g/mol
Exact Mass393.08
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCc1cc(CN2CCN(C(=O)c3csc(CN)n3)CC2)on1.Cl.Cl
InChIInChI=1S/C14H19N5O2S.2ClH/c1-10-6-11(21-17-10)8-18-2-4-19(5-3-18)14(20)12-9-22-13(7-15)16-12;;/h6,9H,2-5,7-8,15H2,1H3;2*1H
InChIKeyFEXZWNUGSYFZPL-UHFFFAOYSA-N
XLogP1.70
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119857678
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119399329
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 46419065
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879941

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 119399321) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is Cc1cc(CN2CCN(C(=O)c3csc(CN)n3)CC2)on1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is FEXZWNUGSYFZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.2ClH/c1-10-6-11(21-17-10)8-18-2-4-19(5-3-18)14(20)12-9-22-13(7-15)16-12;;/h6,9H,2-5,7-8,15H2,1H3;2*1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 394.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119399321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).