2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H23Cl2N3O2S — CID 120787921

IUPAC2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1sc(CNC(=O)C(N)C2CCOCC2)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H22ClN3O2S.ClH/c1-11-17(13-2-4-14(19)5-3-13)22-15(25-11)10-21-18(23)16(20)12-6-8-24-9-7-12;/h2-5,12,16H,6-10,20H2,1H3,(H,21,23);1H
InChIKeyWLNDSYFJMIUSHQ-UHFFFAOYSA-N
MW416.37 g/mol
LogP3.56
Rot. Bonds5

About 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120787921) has the molecular formula C18H23Cl2N3O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120787921
Molecular FormulaC18H23Cl2N3O2S
Molecular Weight416.37 g/mol
Exact Mass415.09
IUPAC Name2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1sc(CNC(=O)C(N)C2CCOCC2)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H22ClN3O2S.ClH/c1-11-17(13-2-4-14(19)5-3-13)22-15(25-11)10-21-18(23)16(20)12-6-8-24-9-7-12;/h2-5,12,16H,6-10,20H2,1H3,(H,21,23);1H
InChIKeyWLNDSYFJMIUSHQ-UHFFFAOYSA-N
XLogP3.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
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CID 71886556
2-amino-2-(oxan-4-yl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120787921) is 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cc1sc(CNC(=O)C(N)C2CCOCC2)nc1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is WLNDSYFJMIUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S.ClH/c1-11-17(13-2-4-14(19)5-3-13)22-15(25-11)10-21-18(23)16(20)12-6-8-24-9-7-12;/h2-5,12,16H,6-10,20H2,1H3,(H,21,23);1H.
What are the key properties of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 416.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120787921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).