benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate

C19H14N2O4S — CID 2422218

IUPACbenzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)OCc1ccccc1
InChIInChI=1S/C19H14N2O4S/c22-19(25-12-13-6-2-1-3-7-13)21-18-20-16(14-8-4-10-23-14)17(26-18)15-9-5-11-24-15/h1-11H,12H2,(H,20,21,22)
InChIKeyMUHCPRFXPOSTED-UHFFFAOYSA-N
MW366.40 g/mol
LogP5.41
Rot. Bonds5

About benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate

benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 2422218) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID2422218
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Namebenzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)OCc1ccccc1
InChIInChI=1S/C19H14N2O4S/c22-19(25-12-13-6-2-1-3-7-13)21-18-20-16(14-8-4-10-23-14)17(26-18)15-9-5-11-24-15/h1-11H,12H2,(H,20,21,22)
InChIKeyMUHCPRFXPOSTED-UHFFFAOYSA-N
XLogP5.41
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate (CID 2422218) is benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is MUHCPRFXPOSTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-19(25-12-13-6-2-1-3-7-13)21-18-20-16(14-8-4-10-23-14)17(26-18)15-9-5-11-24-15/h1-11H,12H2,(H,20,21,22).
What are the key properties of benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate?
benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 366.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 2422218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).