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

C15H19Cl2N3O2S — CID 120987230

IUPAC2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1.Cl
InChIInChI=1S/C15H18ClN3O2S.ClH/c1-9-14(10-3-5-11(16)6-4-10)19-13(22-9)7-18-15(20)12(17)8-21-2;/h3-6,12H,7-8,17H2,1-2H3,(H,18,20);1H
InChIKeyGJHHBGGVMKONNY-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.78
Rot. Bonds6

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

2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120987230) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120987230
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC Name2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1.Cl
InChIInChI=1S/C15H18ClN3O2S.ClH/c1-9-14(10-3-5-11(16)6-4-10)19-13(22-9)7-18-15(20)12(17)8-21-2;/h3-6,12H,7-8,17H2,1-2H3,(H,18,20);1H
InChIKeyGJHHBGGVMKONNY-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(2-(4-chlorophenyl)-1,3-thiazol-4-yl)ethyl)butanamide
CID 7518316
2-(4-Chlorophenyl)-5-({[(ethylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-1,3-thiazole
CID 9635726
2-(4-Chlorophenyl)-5-({[(isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-1,3-thiazole
CID 9675749
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-(2,4-difluorophenyl)ethanediamide
CID 16028731
N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30598321
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 49789777
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-(4-fluorophenyl)ethanediamide
CID 20965683
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-(3-fluorophenyl)ethanediamide
CID 20965684
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-(2,5-difluorophenyl)ethanediamide
CID 20965694
2-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 145363127
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-phenylethanediamide
CID 7216485
N-[1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 51135248

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride (CID 120987230) is 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1.Cl.
What is the InChIKey of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is GJHHBGGVMKONNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S.ClH/c1-9-14(10-3-5-11(16)6-4-10)19-13(22-9)7-18-15(20)12(17)8-21-2;/h3-6,12H,7-8,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 376.31 g/mol, XLogP of 2.78, 6 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]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120987230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).