methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate

C15H14Cl2N2O3S — CID 71884537

IUPACmethyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N2O3S/c1-15(2,14(21)22-3)19-12(20)11-7-23-13(18-11)9-5-4-8(16)6-10(9)17/h4-7H,1-3H3,(H,19,20)
InChIKeyIUVMFAMPZPRTQU-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate

methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate (PubChem CID 71884537) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
PubChem CID71884537
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC Namemethyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N2O3S/c1-15(2,14(21)22-3)19-12(20)11-7-23-13(18-11)9-5-4-8(16)6-10(9)17/h4-7H,1-3H3,(H,19,20)
InChIKeyIUVMFAMPZPRTQU-UHFFFAOYSA-N
XLogP3.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187773
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
1-[2-(2-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890216
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515973
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
CID 30876031
2-(2-chloro-4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42866186
methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 43074434
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-ynylacetamide
CID 49015977
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate (CID 71884537) is methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate?
The InChIKey is IUVMFAMPZPRTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-15(2,14(21)22-3)19-12(20)11-7-23-13(18-11)9-5-4-8(16)6-10(9)17/h4-7H,1-3H3,(H,19,20).
What are the key properties of methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate has a molecular weight of 373.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 71884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).