methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate

C13H13N3O3S — CID 660228

IUPACmethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H13N3O3S/c1-7-10(20-13(14)15-7)11(17)16-9-6-4-3-5-8(9)12(18)19-2/h3-6H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZGSMAHSEHABJOO-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate

methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate (PubChem CID 660228) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
PubChem CID660228
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C13H13N3O3S/c1-7-10(20-13(14)15-7)11(17)16-9-6-4-3-5-8(9)12(18)19-2/h3-6H,1-2H3,(H2,14,15)(H,16,17)
InChIKeyZGSMAHSEHABJOO-UHFFFAOYSA-N
XLogP2.07
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 21915303
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CID 23850430
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CID 21137645
CID 21137645
CID 739040
CID 739040
CID 801958
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CID 1227624
CID 1227624
CID 1336265
CID 1336265

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate (CID 660228) is methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1sc(N)nc1C.
What is the InChIKey of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The InChIKey is ZGSMAHSEHABJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7-10(20-13(14)15-7)11(17)16-9-6-4-3-5-8(9)12(18)19-2/h3-6H,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate?
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate has a molecular weight of 291.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 660228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).