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

C15H17N3O4S — CID 2813997

IUPACethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O4S/c1-3-22-13(19)8-11-9-23-15(17-11)18-14(20)16-10-5-4-6-12(7-10)21-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)
InChIKeyGATOXVPIXOIMAX-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.90
Rot. Bonds6

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

ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 2813997) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID2813997
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Nameethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C15H17N3O4S/c1-3-22-13(19)8-11-9-23-15(17-11)18-14(20)16-10-5-4-6-12(7-10)21-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)
InChIKeyGATOXVPIXOIMAX-UHFFFAOYSA-N
XLogP2.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
Ethyl (2-anilino-1,3-thiazol-4-yl)[(4-methoxyphenyl)hydrazono]acetate
CID 6270287
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide
CID 11958500
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
CID 11958607
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pent-4-enamide
CID 11958608
N-(3-methoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567660
N-(3,4-dimethoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567666
N-(2,5-dimethoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567668
2-[2-[4-(3,3,3-Trifluoropropoxy)anilino]-1,3-thiazol-4-yl]acetic acid
CID 137657587
Ethyl 2-[2-({[4-(trifluoromethoxy)anilino]carbonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814000
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11210608

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (CID 2813997) is ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Nc2cccc(OC)c2)n1.
What is the InChIKey of ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is GATOXVPIXOIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-22-13(19)8-11-9-23-15(17-11)18-14(20)16-10-5-4-6-12(7-10)21-2/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 335.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2813997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).