methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

C9H12N2O4S — CID 13216993

IUPACmethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)Nc1snc(C)c1C(=O)OC
InChIInChI=1S/C9H12N2O4S/c1-4-15-9(13)10-7-6(8(12)14-3)5(2)11-16-7/h4H2,1-3H3,(H,10,13)
InChIKeyPWYSLRFSUOYVHS-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.81
Rot. Bonds3

About methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 13216993) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID13216993
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)Nc1snc(C)c1C(=O)OC
InChIInChI=1S/C9H12N2O4S/c1-4-15-9(13)10-7-6(8(12)14-3)5(2)11-16-7/h4H2,1-3H3,(H,10,13)
InChIKeyPWYSLRFSUOYVHS-UHFFFAOYSA-N
XLogP1.81
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 5-amino-3-methylisothiazole-4-carboxylate
CID 2820511
3-[3-Methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 17476799
Ethyl 5-(ethoxycarbonylamino)-3-methylisothiazole-4-carboxylate
CID 843005
Ethyl 5-(cyclobutylcarbonylamino)-3-methylisothiazole-4-carboxylate
CID 6465368
Ethyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate
CID 45089557
Ethyl 5-acetamido-3-methyl-1,2-thiazole-4-carboxylate
CID 17164247
3-Methyl-5-(2,2,2-trifluoroethoxycarbonylamino)-1,2-thiazole-4-carboxylic acid
CID 61170792
Ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate
CID 79363508
Ethyl 3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxylate
CID 79376265
Ethyl 3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazole-4-carboxylate
CID 105939526
Ethyl 3-methyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxylate
CID 106219429
Ethyl 3-methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-carboxylate
CID 106295441

Frequently Asked Questions

What is the IUPAC name of methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 13216993) is methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)Nc1snc(C)c1C(=O)OC.
What is the InChIKey of methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is PWYSLRFSUOYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-4-15-9(13)10-7-6(8(12)14-3)5(2)11-16-7/h4H2,1-3H3,(H,10,13).
What are the key properties of methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(ethoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 13216993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).