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

C15H15N3O5S — CID 23613697

IUPACethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Nc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C15H15N3O5S/c1-3-23-13(20)11-8-24-15(17-11)18-14(21)16-10-6-4-9(5-7-10)12(19)22-2/h4-8H,3H2,1-2H3,(H2,16,17,18,21)
InChIKeyGRPMAGSHAXTNMU-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.75
Rot. Bonds5

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

ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 23613697) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
PubChem CID23613697
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Nameethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)Nc2ccc(C(=O)OC)cc2)n1
InChIInChI=1S/C15H15N3O5S/c1-3-23-13(20)11-8-24-15(17-11)18-14(21)16-10-6-4-9(5-7-10)12(19)22-2/h4-8H,3H2,1-2H3,(H2,16,17,18,21)
InChIKeyGRPMAGSHAXTNMU-UHFFFAOYSA-N
XLogP2.75
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 155815410
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
ethyl 4-[3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27454070
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate (CID 23613697) is ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)Nc2ccc(C(=O)OC)cc2)n1.
What is the InChIKey of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is GRPMAGSHAXTNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-3-23-13(20)11-8-24-15(17-11)18-14(21)16-10-6-4-9(5-7-10)12(19)22-2/h4-8H,3H2,1-2H3,(H2,16,17,18,21).
What are the key properties of ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 349.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23613697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).