1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C19H23ClN4O2S — CID 120857088

IUPAC1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCOc1ccc(-c2nc(Cc3nc(C4(N)CCCC4)no3)cs2)cc1.Cl
InChIInChI=1S/C19H22N4O2S.ClH/c1-2-24-15-7-5-13(6-8-15)17-21-14(12-26-17)11-16-22-18(23-25-16)19(20)9-3-4-10-19;/h5-8,12H,2-4,9-11,20H2,1H3;1H
InChIKeyMQZXCOGCQSEPGB-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.33
Rot. Bonds6

About 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120857088) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120857088
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCOc1ccc(-c2nc(Cc3nc(C4(N)CCCC4)no3)cs2)cc1.Cl
InChIInChI=1S/C19H22N4O2S.ClH/c1-2-24-15-7-5-13(6-8-15)17-21-14(12-26-17)11-16-22-18(23-25-16)19(20)9-3-4-10-19;/h5-8,12H,2-4,9-11,20H2,1H3;1H
InChIKeyMQZXCOGCQSEPGB-UHFFFAOYSA-N
XLogP4.33
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864407
1-[5-[(4-ethoxyphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851174
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 120859363
1-[5-[[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858531
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120857088) is 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCOc1ccc(-c2nc(Cc3nc(C4(N)CCCC4)no3)cs2)cc1.Cl.
What is the InChIKey of 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is MQZXCOGCQSEPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S.ClH/c1-2-24-15-7-5-13(6-8-15)17-21-14(12-26-17)11-16-22-18(23-25-16)19(20)9-3-4-10-19;/h5-8,12H,2-4,9-11,20H2,1H3;1H.
What are the key properties of 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120857088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).