2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid

C18H14N2O3S — CID 2246507

IUPAC2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)O)n2)cc1
InChIInChI=1S/C18H14N2O3S/c1-11-6-8-12(9-7-11)15-10-24-18(19-15)20-16(21)13-4-2-3-5-14(13)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyGAEKXMRFUJRVJV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.07
Rot. Bonds4

About 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid (PubChem CID 2246507) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
PubChem CID2246507
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)O)n2)cc1
InChIInChI=1S/C18H14N2O3S/c1-11-6-8-12(9-7-11)15-10-24-18(19-15)20-16(21)13-4-2-3-5-14(13)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyGAEKXMRFUJRVJV-UHFFFAOYSA-N
XLogP4.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid (CID 2246507) is 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid is Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)O)n2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
The InChIKey is GAEKXMRFUJRVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-11-6-8-12(9-7-11)15-10-24-18(19-15)20-16(21)13-4-2-3-5-14(13)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid?
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid has a molecular weight of 338.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 2246507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).