methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride

C19H24ClN3O3S — CID 119750692

IUPACmethyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
SMILESCOC(=O)Cc1sc(NC(=O)C2CCCC(N)C2)nc1-c1ccccc1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-25-16(23)11-15-17(12-6-3-2-4-7-12)21-19(26-15)22-18(24)13-8-5-9-14(20)10-13;/h2-4,6-7,13-14H,5,8-11,20H2,1H3,(H,21,22,24);1H
InChIKeyWQJYHHBSOUWXCM-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.40
Rot. Bonds5

About methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride

methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride (PubChem CID 119750692) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
PubChem CID119750692
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Namemethyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
SMILESCOC(=O)Cc1sc(NC(=O)C2CCCC(N)C2)nc1-c1ccccc1.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-25-16(23)11-15-17(12-6-3-2-4-7-12)21-19(26-15)22-18(24)13-8-5-9-14(20)10-13;/h2-4,6-7,13-14H,5,8-11,20H2,1H3,(H,21,22,24);1H
InChIKeyWQJYHHBSOUWXCM-UHFFFAOYSA-N
XLogP3.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride with MolForge

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Related Compounds

methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
CID 119750693
methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119304392
methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 120987195
methyl 2-[2-(4-aminopentanoylamino)-4-phenyl-1,3-thiazol-5-yl]acetate
CID 120561313
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
3-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119772198
methyl 2-[3-[(3-aminocyclohexanecarbonyl)amino]-1H-1,2,4-triazol-5-yl]acetate;hydrochloride
CID 119735161
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63042489
(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride (CID 119750692) is methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride is COC(=O)Cc1sc(NC(=O)C2CCCC(N)C2)nc1-c1ccccc1.Cl.
What is the InChIKey of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
The InChIKey is WQJYHHBSOUWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-25-16(23)11-15-17(12-6-3-2-4-7-12)21-19(26-15)22-18(24)13-8-5-9-14(20)10-13;/h2-4,6-7,13-14H,5,8-11,20H2,1H3,(H,21,22,24);1H.
What are the key properties of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride?
methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride is sourced from PubChem (CID 119750692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).