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

C13H13N3O4S — CID 16772505

IUPAC2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C13H13N3O4S/c1-20-10-5-3-2-4-9(10)15-12(19)16-13-14-8(7-21-13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDRSPTGHJYAZUNA-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.42
Rot. Bonds5

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

2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 16772505) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID16772505
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C13H13N3O4S/c1-20-10-5-3-2-4-9(10)15-12(19)16-13-14-8(7-21-13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDRSPTGHJYAZUNA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 27451343
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
2-[2-[[3-[2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87229946
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
N-(3-chloro-2-methylphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841739
N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate
CID 23047547
2-[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10916868
N-(3-imidazol-1-ylpropyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158710
2-[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 59732755

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid (CID 16772505) is 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid is COc1ccccc1NC(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DRSPTGHJYAZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-20-10-5-3-2-4-9(10)15-12(19)16-13-14-8(7-21-13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 307.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 16772505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).