2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid

C14H15N3O3S — CID 66378977

IUPAC2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(NC(=O)NCc2nc(C(=O)O)cs2)c(C)c1
InChIInChI=1S/C14H15N3O3S/c1-8-3-4-10(9(2)5-8)17-14(20)15-6-12-16-11(7-21-12)13(18)19/h3-5,7H,6H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyZNHXOHNNGMHOGD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.78
Rot. Bonds4

About 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66378977) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66378977
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(NC(=O)NCc2nc(C(=O)O)cs2)c(C)c1
InChIInChI=1S/C14H15N3O3S/c1-8-3-4-10(9(2)5-8)17-14(20)15-6-12-16-11(7-21-12)13(18)19/h3-5,7H,6H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyZNHXOHNNGMHOGD-UHFFFAOYSA-N
XLogP2.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381121
2-[[(2,3-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380158
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106312493
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
1-(2,4-dimethylphenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 71851800
2-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245210
2-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372558
2-[(2,3-dimethylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380846
2-[[(3-fluorophenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381067
2-[[(3-iodophenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379765

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66378977) is 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(NC(=O)NCc2nc(C(=O)O)cs2)c(C)c1.
What is the InChIKey of 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZNHXOHNNGMHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-3-4-10(9(2)5-8)17-14(20)15-6-12-16-11(7-21-12)13(18)19/h3-5,7H,6H2,1-2H3,(H,18,19)(H2,15,17,20).
What are the key properties of 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66378977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).