2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C14H13N3O2S2 — CID 126774132

IUPAC2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN(CCc1nccs1)C(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C14H13N3O2S2/c1-17(6-4-12-15-5-8-20-12)14(18)11-9-16-13(21-11)10-3-2-7-19-10/h2-3,5,7-9H,4,6H2,1H3
InChIKeyWXERUMIKZIXHSE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.17
Rot. Bonds5

About 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 126774132) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID126774132
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN(CCc1nccs1)C(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C14H13N3O2S2/c1-17(6-4-12-15-5-8-20-12)14(18)11-9-16-13(21-11)10-3-2-7-19-10/h2-3,5,7-9H,4,6H2,1H3
InChIKeyWXERUMIKZIXHSE-UHFFFAOYSA-N
XLogP3.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 126774132) is 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CN(CCc1nccs1)C(=O)c1cnc(-c2ccco2)s1.
What is the InChIKey of 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WXERUMIKZIXHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-17(6-4-12-15-5-8-20-12)14(18)11-9-16-13(21-11)10-3-2-7-19-10/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126774132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).