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

C11H14N2O3S — CID 2392213

IUPACethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC2)nc1C
InChIInChI=1S/C11H14N2O3S/c1-3-16-10(15)8-6(2)12-11(17-8)13-9(14)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyKQQFAAGFKUVOHN-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.98
Rot. Bonds4

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

ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2392213) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2392213
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC2)nc1C
InChIInChI=1S/C11H14N2O3S/c1-3-16-10(15)8-6(2)12-11(17-8)13-9(14)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyKQQFAAGFKUVOHN-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 2392213) is ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C2CC2)nc1C.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is KQQFAAGFKUVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-16-10(15)8-6(2)12-11(17-8)13-9(14)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).