[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate

C10H8N2O4S — CID 23745766

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nccs1
InChIInChI=1S/C10H8N2O4S/c13-8(12-10-11-3-5-17-10)6-16-9(14)7-2-1-4-15-7/h1-5H,6H2,(H,11,12,13)
InChIKeyYEFBTZXMPPGJTC-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.53
Rot. Bonds4

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate (PubChem CID 23745766) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
PubChem CID23745766
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1nccs1
InChIInChI=1S/C10H8N2O4S/c13-8(12-10-11-3-5-17-10)6-16-9(14)7-2-1-4-15-7/h1-5H,6H2,(H,11,12,13)
InChIKeyYEFBTZXMPPGJTC-UHFFFAOYSA-N
XLogP1.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 23999374
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
CID 5223064
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-fluorobenzoate
CID 3407042
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134
N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
CID 3705537
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
CID 46924909
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 2680648
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051
[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7486674

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate (CID 23745766) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
The InChIKey is YEFBTZXMPPGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c13-8(12-10-11-3-5-17-10)6-16-9(14)7-2-1-4-15-7/h1-5H,6H2,(H,11,12,13).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate has a molecular weight of 252.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate is sourced from PubChem (CID 23745766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).