ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C11H12N4O3S — CID 110475404

IUPACethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cnc[nH]2)nc1C
InChIInChI=1S/C11H12N4O3S/c1-3-18-10(17)8-6(2)14-11(19-8)15-9(16)7-4-12-5-13-7/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyCDMOZDZCAGPQNW-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 110475404) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID110475404
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Nameethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cnc[nH]2)nc1C
InChIInChI=1S/C11H12N4O3S/c1-3-18-10(17)8-6(2)14-11(19-8)15-9(16)7-4-12-5-13-7/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyCDMOZDZCAGPQNW-UHFFFAOYSA-N
XLogP1.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-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 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1126047
ethyl 4-methyl-2-[(6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18149014
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1244006
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 4-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16879786
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2282070
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 17256973

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 110475404) is ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cnc[nH]2)nc1C.
What is the InChIKey of ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CDMOZDZCAGPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-3-18-10(17)8-6(2)14-11(19-8)15-9(16)7-4-12-5-13-7/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110475404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).