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

C10H12N2O3S — CID 4064082

IUPACethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C10H12N2O3S/c1-2-15-9(14)7-5-16-10(11-7)12-8(13)6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyRXHZYXLJROHCAH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.67
Rot. Bonds4

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

ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 4064082) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate
PubChem CID4064082
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C10H12N2O3S/c1-2-15-9(14)7-5-16-10(11-7)12-8(13)6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyRXHZYXLJROHCAH-UHFFFAOYSA-N
XLogP1.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-aminothiazole-4-carboxylate
CID 73216
Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
Ethyl 2-amino-1,3-thiazole-4-carboxylate hydrochloride
CID 16192542
Ethyl 2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396823
Ethyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 396824
Ethyl 2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazole-4-carboxylate
CID 4133003
Ethyl 2-butanamido-1,3-thiazole-4-carboxylate
CID 2326262
Ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 2349751
Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396822
Ethyl 2-[3(diethylamino)propanamido]-thiazole-4-carboxylate
CID 396826
Ethyl 2-(cyclohexanecarboxamido)thiazole-4-carboxylate
CID 2326373
Ethyl 2-(2,2-dimethylpropanoylamino)-1,3-thiazole-4-carboxylate
CID 4067264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate (CID 4064082) is ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)C2CC2)n1.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is RXHZYXLJROHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-15-9(14)7-5-16-10(11-7)12-8(13)6-3-4-6/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4064082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).