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

C13H9ClN2O3S — CID 2385998

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
SMILESO=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C13H9ClN2O3S/c14-7-10(17)15-13-16-11(8-3-1-5-18-8)12(20-13)9-4-2-6-19-9/h1-6H,7H2,(H,15,16,17)
InChIKeyHZYXVMMMXAIHQN-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.84
Rot. Bonds4

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide (PubChem CID 2385998) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
PubChem CID2385998
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
SMILESO=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C13H9ClN2O3S/c14-7-10(17)15-13-16-11(8-3-1-5-18-8)12(20-13)9-4-2-6-19-9/h1-6H,7H2,(H,15,16,17)
InChIKeyHZYXVMMMXAIHQN-UHFFFAOYSA-N
XLogP3.84
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide (CID 2385998) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide is O=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide?
The InChIKey is HZYXVMMMXAIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-7-10(17)15-13-16-11(8-3-1-5-18-8)12(20-13)9-4-2-6-19-9/h1-6H,7H2,(H,15,16,17).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide has a molecular weight of 308.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloroacetamide is sourced from PubChem (CID 2385998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).