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

C15H15N3O5S — CID 23047547

IUPAC[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate
SMILESCCC(=O)C(=O)Oc1csc(NC(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C15H15N3O5S/c1-3-10(19)13(20)23-12-8-24-15(17-12)18-14(21)16-9-6-4-5-7-11(9)22-2/h4-8H,3H2,1-2H3,(H2,16,17,18,21)
InChIKeyYWTBSHHXLVVVRA-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.68
Rot. Bonds6

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

[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate (PubChem CID 23047547) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate
PubChem CID23047547
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate
SMILESCCC(=O)C(=O)Oc1csc(NC(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C15H15N3O5S/c1-3-10(19)13(20)23-12-8-24-15(17-12)18-14(21)16-9-6-4-5-7-11(9)22-2/h4-8H,3H2,1-2H3,(H2,16,17,18,21)
InChIKeyYWTBSHHXLVVVRA-UHFFFAOYSA-N
XLogP2.68
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
N-cyclopropyl-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 27451343
N-(3-methoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567660
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
N-(3-chloro-2-methylphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841739
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate?
The IUPAC name of [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate (CID 23047547) is [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate?
The canonical SMILES for [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate is CCC(=O)C(=O)Oc1csc(NC(=O)Nc2ccccc2OC)n1.
What is the InChIKey of [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate?
The InChIKey is YWTBSHHXLVVVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-3-10(19)13(20)23-12-8-24-15(17-12)18-14(21)16-9-6-4-5-7-11(9)22-2/h4-8H,3H2,1-2H3,(H2,16,17,18,21).
What are the key properties of [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate?
[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate has a molecular weight of 349.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl] 2-oxobutanoate is sourced from PubChem (CID 23047547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).