2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide

C14H14N2O2S — CID 126814443

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H14N2O2S/c1-16(2)14(17)12-8-15-13(19-12)10-3-4-11-9(7-10)5-6-18-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUQONHMIBZOCOJA-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.45
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 126814443) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID126814443
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H14N2O2S/c1-16(2)14(17)12-8-15-13(19-12)10-3-4-11-9(7-10)5-6-18-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUQONHMIBZOCOJA-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide (CID 126814443) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide is CN(C)C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UQONHMIBZOCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-16(2)14(17)12-8-15-13(19-12)10-3-4-11-9(7-10)5-6-18-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126814443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).