N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide

C16H12N2O3S — CID 17394900

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccoc1
InChIInChI=1S/C16H12N2O3S/c19-15(12-3-5-20-8-12)18-16-17-13(9-22-16)10-1-2-14-11(7-10)4-6-21-14/h1-3,5,7-9H,4,6H2,(H,17,18,19)
InChIKeyWRHCWALIOYEBEY-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.59
Rot. Bonds3

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 17394900) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID17394900
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccoc1
InChIInChI=1S/C16H12N2O3S/c19-15(12-3-5-20-8-12)18-16-17-13(9-22-16)10-1-2-14-11(7-10)4-6-21-14/h1-3,5,7-9H,4,6H2,(H,17,18,19)
InChIKeyWRHCWALIOYEBEY-UHFFFAOYSA-N
XLogP3.59
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 35847681
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38937157
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75371448
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46680166
N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 88901599
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776175
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 55487502
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide (CID 17394900) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccoc1.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is WRHCWALIOYEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(12-3-5-20-8-12)18-16-17-13(9-22-16)10-1-2-14-11(7-10)4-6-21-14/h1-3,5,7-9H,4,6H2,(H,17,18,19).
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide?
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 17394900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).