4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride

C18H24ClN3O2S — CID 120917994

IUPAC4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCCc1ccc(-c2csc(NC(=O)C3(CN)CCOCC3)n2)cc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-2-13-3-5-14(6-4-13)15-11-24-17(20-15)21-16(22)18(12-19)7-9-23-10-8-18;/h3-6,11H,2,7-10,12,19H2,1H3,(H,20,21,22);1H
InChIKeyZDEDHXOJXZKMBU-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.49
Rot. Bonds5

About 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120917994) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120917994
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC Name4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCCc1ccc(-c2csc(NC(=O)C3(CN)CCOCC3)n2)cc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-2-13-3-5-14(6-4-13)15-11-24-17(20-15)21-16(22)18(12-19)7-9-23-10-8-18;/h3-6,11H,2,7-10,12,19H2,1H3,(H,20,21,22);1H
InChIKeyZDEDHXOJXZKMBU-UHFFFAOYSA-N
XLogP3.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
4-(aminomethyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120918759
methyl 4-[2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 120921065
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 115439495
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41107572

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride (CID 120917994) is 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride is CCc1ccc(-c2csc(NC(=O)C3(CN)CCOCC3)n2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is ZDEDHXOJXZKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-2-13-3-5-14(6-4-13)15-11-24-17(20-15)21-16(22)18(12-19)7-9-23-10-8-18;/h3-6,11H,2,7-10,12,19H2,1H3,(H,20,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120917994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).