4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride

C18H23ClFN3O2S — CID 120926106

IUPAC4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2(CN)CCOCC2)sc1Cc1ccc(F)cc1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-12-15(10-13-2-4-14(19)5-3-13)25-17(21-12)22-16(23)18(11-20)6-8-24-9-7-18;/h2-5H,6-11,20H2,1H3,(H,21,22,23);1H
InChIKeyXTVVDXCDYRVWGZ-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.30
Rot. Bonds5

About 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride (PubChem CID 120926106) has the molecular formula C18H23ClFN3O2S and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
PubChem CID120926106
Molecular FormulaC18H23ClFN3O2S
Molecular Weight399.92 g/mol
Exact Mass399.12
IUPAC Name4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2(CN)CCOCC2)sc1Cc1ccc(F)cc1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-12-15(10-13-2-4-14(19)5-3-13)25-17(21-12)22-16(23)18(11-20)6-8-24-9-7-18;/h2-5H,6-11,20H2,1H3,(H,21,22,23);1H
InChIKeyXTVVDXCDYRVWGZ-UHFFFAOYSA-N
XLogP3.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120926095
(2S,5R)-5-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120788684
1-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(oxepan-4-yl)urea
CID 128628590
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
4-(aminomethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120918147
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107
1-[(4-methoxyoxan-4-yl)methyl]-3-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]urea
CID 126790172
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43836859
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
CID 56786830

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride (CID 120926106) is 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride is Cc1nc(NC(=O)C2(CN)CCOCC2)sc1Cc1ccc(F)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
The InChIKey is XTVVDXCDYRVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S.ClH/c1-12-15(10-13-2-4-14(19)5-3-13)25-17(21-12)22-16(23)18(11-20)6-8-24-9-7-18;/h2-5H,6-11,20H2,1H3,(H,21,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120926106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).