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

C10H14N2O3S — CID 2326262

IUPACethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCCC(=O)Nc1nc(C(=O)OCC)cs1
InChIInChI=1S/C10H14N2O3S/c1-3-5-8(13)12-10-11-7(6-16-10)9(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyKVTPGKJQXZMOGB-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.06
Rot. Bonds5

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

ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate (PubChem CID 2326262) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate
PubChem CID2326262
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCCC(=O)Nc1nc(C(=O)OCC)cs1
InChIInChI=1S/C10H14N2O3S/c1-3-5-8(13)12-10-11-7(6-16-10)9(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyKVTPGKJQXZMOGB-UHFFFAOYSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamido-1,3-thiazole-4-carboxylic acid
CID 840113
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-[(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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate (CID 2326262) is ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate is CCCC(=O)Nc1nc(C(=O)OCC)cs1.
What is the InChIKey of ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is KVTPGKJQXZMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-5-8(13)12-10-11-7(6-16-10)9(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butanoylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2326262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).