ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate

C14H15N3O4S — CID 4518728

IUPACethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C14H15N3O4S/c1-3-21-12(18)11-8-22-14(16-11)17-13(19)15-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H2,15,16,17,19)
InChIKeyYNAATMAHFUYKSE-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.97
Rot. Bonds5

About ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 4518728) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
PubChem CID4518728
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Nameethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C14H15N3O4S/c1-3-21-12(18)11-8-22-14(16-11)17-13(19)15-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H2,15,16,17,19)
InChIKeyYNAATMAHFUYKSE-UHFFFAOYSA-N
XLogP2.97
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
Ethyl 2-((4-methoxyphenyl)amino)-1,3-thiazole-4-carboxylate
CID 2769692
2-{2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 652258
N-(3-methoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567660
2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733048
Ethyl 2-[2-({[4-(trifluoromethoxy)anilino]carbonyl}amino)-1,3-thiazol-4-yl]acetate
CID 2814000
2-{2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189438
Ethyl 2-(2,5-dimethoxyanilino)-1,3-thiazole-4-carboxylate
CID 78920620
Ethyl 2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxylate
CID 80566436
Ethyl 2-(4-hydroxyanilino)-1,3-thiazole-4-carboxylate
CID 82059300
2-[(4-Methoxyphenyl)amino]-1,3-thiazole-4-carboxylic acid
CID 2759631
2-{2-[1-(3,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate (CID 4518728) is ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)Nc2cccc(OC)c2)n1.
What is the InChIKey of ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is YNAATMAHFUYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-3-21-12(18)11-8-22-14(16-11)17-13(19)15-9-5-4-6-10(7-9)20-2/h4-8H,3H2,1-2H3,(H2,15,16,17,19).
What are the key properties of ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 321.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxyphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4518728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).