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

C8H12N2O2S — CID 15053541

IUPACethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate
SMILESCCNc1nc(C(=O)OCC)cs1
InChIInChI=1S/C8H12N2O2S/c1-3-9-8-10-6(5-13-8)7(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyLBGHMAYKYDOTSC-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.75
Rot. Bonds4

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

ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 15053541) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate
PubChem CID15053541
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate
SMILESCCNc1nc(C(=O)OCC)cs1
InChIInChI=1S/C8H12N2O2S/c1-3-9-8-10-6(5-13-8)7(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyLBGHMAYKYDOTSC-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.75
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
Methyl 2-amino-1,3-thiazole-4-carboxylate
CID 840099
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-formylhydrazino)-1,3-thiazole-4-carboxylate
CID 2718854
Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396822
Ethyl 2-[3(diethylamino)propanamido]-thiazole-4-carboxylate
CID 396826
Ethyl 2-(2,2-dimethylpropanoylamino)-1,3-thiazole-4-carboxylate
CID 4067264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate (CID 15053541) is ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate is CCNc1nc(C(=O)OCC)cs1.
What is the InChIKey of ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is LBGHMAYKYDOTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-9-8-10-6(5-13-8)7(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15053541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).