4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid

C13H13N3O4S — CID 63744641

IUPAC4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)Nc1ncc(C)s1
InChIInChI=1S/C13H13N3O4S/c1-7-6-14-13(21-7)16-12(19)15-9-5-8(11(17)18)3-4-10(9)20-2/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyIZOGOXGOEPFGSI-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.80
Rot. Bonds4

About 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid

4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid (PubChem CID 63744641) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
PubChem CID63744641
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)Nc1ncc(C)s1
InChIInChI=1S/C13H13N3O4S/c1-7-6-14-13(21-7)16-12(19)15-9-5-8(11(17)18)3-4-10(9)20-2/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyIZOGOXGOEPFGSI-UHFFFAOYSA-N
XLogP2.80
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
1-(2,4-dimethoxy-5-nitrophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 11416467
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-4-methoxybenzoic acid
CID 63744645
3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 145489208
4-methoxy-3-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 63742611
5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61092626
4-methoxy-3-(prop-2-enylcarbamoylamino)benzoic acid
CID 63742260
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61033971
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid (CID 63744641) is 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)Nc1ncc(C)s1.
What is the InChIKey of 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The InChIKey is IZOGOXGOEPFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-7-6-14-13(21-7)16-12(19)15-9-5-8(11(17)18)3-4-10(9)20-2/h3-6H,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63744641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).