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

C10H14N2O4S — CID 897799

IUPACethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Nc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H14N2O4S/c1-4-15-8(13)7-6(3)11-9(17-7)12-10(14)16-5-2/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyDQCFKODMUMRUIF-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.20
Rot. Bonds4

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

ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 897799) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID897799
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Nc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H14N2O4S/c1-4-15-8(13)7-6(3)11-9(17-7)12-10(14)16-5-2/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyDQCFKODMUMRUIF-UHFFFAOYSA-N
XLogP2.20
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1244006
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110475404
ethyl 2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 35760818

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 897799) is ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)Nc1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is DQCFKODMUMRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-4-15-8(13)7-6(3)11-9(17-7)12-10(14)16-5-2/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 897799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).