1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

C18H23ClN4OS — CID 120868535

IUPAC1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCCc1ccc(-c2nc(Cc3nc(CC(C)NC)no3)cs2)cc1.Cl
InChIInChI=1S/C18H22N4OS.ClH/c1-4-13-5-7-14(8-6-13)18-20-15(11-24-18)10-17-21-16(22-23-17)9-12(2)19-3;/h5-8,11-12,19H,4,9-10H2,1-3H3;1H
InChIKeyWFVPXCFTXNBSFX-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.92
Rot. Bonds7

About 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (PubChem CID 120868535) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
PubChem CID120868535
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCCc1ccc(-c2nc(Cc3nc(CC(C)NC)no3)cs2)cc1.Cl
InChIInChI=1S/C18H22N4OS.ClH/c1-4-13-5-7-14(8-6-13)18-20-15(11-24-18)10-17-21-16(22-23-17)9-12(2)19-3;/h5-8,11-12,19H,4,9-10H2,1-3H3;1H
InChIKeyWFVPXCFTXNBSFX-UHFFFAOYSA-N
XLogP3.92
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol
CID 136987769
N-[4-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120864991
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
N-methyl-1-[5-[4-(thiomorpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867051
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997
N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62827855
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868184
2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole
CID 145363293
1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120868561

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (CID 120868535) is 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is CCc1ccc(-c2nc(Cc3nc(CC(C)NC)no3)cs2)cc1.Cl.
What is the InChIKey of 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The InChIKey is WFVPXCFTXNBSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS.ClH/c1-4-13-5-7-14(8-6-13)18-20-15(11-24-18)10-17-21-16(22-23-17)9-12(2)19-3;/h5-8,11-12,19H,4,9-10H2,1-3H3;1H.
What are the key properties of 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).