ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate

C10H14N2O2S2 — CID 103064920

IUPACethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC1CCSC1
InChIInChI=1S/C10H14N2O2S2/c1-2-14-10(13)8-9(16-6-11-8)12-7-3-4-15-5-7/h6-7,12H,2-5H2,1H3
InChIKeyZTOIGIPKYXWTEE-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.24
Rot. Bonds4

About ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate

ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 103064920) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID103064920
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Nameethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC1CCSC1
InChIInChI=1S/C10H14N2O2S2/c1-2-14-10(13)8-9(16-6-11-8)12-7-3-4-15-5-7/h6-7,12H,2-5H2,1H3
InChIKeyZTOIGIPKYXWTEE-UHFFFAOYSA-N
XLogP2.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate (CID 103064920) is ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NC1CCSC1.
What is the InChIKey of ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is ZTOIGIPKYXWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-2-14-10(13)8-9(16-6-11-8)12-7-3-4-15-5-7/h6-7,12H,2-5H2,1H3.
What are the key properties of ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 258.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103064920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).