2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid

C13H13N3O4S — CID 61196286

IUPAC2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid
SMILESCc1csc(NC(=O)Nc2cccc(OCC(=O)O)c2)n1
InChIInChI=1S/C13H13N3O4S/c1-8-7-21-13(14-8)16-12(19)15-9-3-2-4-10(5-9)20-6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyYHZCERHEHFCEDP-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.56
Rot. Bonds5

About 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid

2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid (PubChem CID 61196286) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid
PubChem CID61196286
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid
SMILESCc1csc(NC(=O)Nc2cccc(OCC(=O)O)c2)n1
InChIInChI=1S/C13H13N3O4S/c1-8-7-21-13(14-8)16-12(19)15-9-3-2-4-10(5-9)20-6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyYHZCERHEHFCEDP-UHFFFAOYSA-N
XLogP2.56
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]phenoxy]acetic acid
CID 71542690
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 106485075
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
2-[4-[[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]phenoxy]acetic acid
CID 71542609
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 61195157
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
2-[3-(pent-3-ynylcarbamoylamino)phenoxy]acetic acid
CID 116644726
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid (CID 61196286) is 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid is Cc1csc(NC(=O)Nc2cccc(OCC(=O)O)c2)n1.
What is the InChIKey of 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid?
The InChIKey is YHZCERHEHFCEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-8-7-21-13(14-8)16-12(19)15-9-3-2-4-10(5-9)20-6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid?
2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid has a molecular weight of 307.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid is sourced from PubChem (CID 61196286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).