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

C19H23N3O3S — CID 119750693

IUPACmethyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(NC(=O)C2CCCC(N)C2)nc1-c1ccccc1
InChIInChI=1S/C19H23N3O3S/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)
InChIKeyMOYHISDHJPJVAP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.98
Rot. Bonds5

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

methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate (PubChem CID 119750693) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
PubChem CID119750693
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Namemethyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
SMILESCOC(=O)Cc1sc(NC(=O)C2CCCC(N)C2)nc1-c1ccccc1
InChIInChI=1S/C19H23N3O3S/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)
InChIKeyMOYHISDHJPJVAP-UHFFFAOYSA-N
XLogP2.98
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119750692
methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119304392
methyl 2-[2-(4-aminopentanoylamino)-4-phenyl-1,3-thiazol-5-yl]acetate
CID 120561313
methyl 2-[2-[(2-amino-3-methoxypropanoyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 120987195
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
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
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
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate?
The IUPAC name of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate (CID 119750693) is methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate is COC(=O)Cc1sc(NC(=O)C2CCCC(N)C2)nc1-c1ccccc1.
What is the InChIKey of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate?
The InChIKey is MOYHISDHJPJVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/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).
What are the key properties of methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate?
methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate has a molecular weight of 373.48 g/mol, XLogP of 2.98, 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 is sourced from PubChem (CID 119750693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).