N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

C16H14N2O2S — CID 32863068

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(C3CC3)cs2)oc2ccccc12
InChIInChI=1S/C16H14N2O2S/c1-9-11-4-2-3-5-13(11)20-14(9)15(19)18-16-17-12(8-21-16)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,17,18,19)
InChIKeyULGIXGRJCQUYSW-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.33
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 32863068) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID32863068
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(C3CC3)cs2)oc2ccccc12
InChIInChI=1S/C16H14N2O2S/c1-9-11-4-2-3-5-13(11)20-14(9)15(19)18-16-17-12(8-21-16)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,17,18,19)
InChIKeyULGIXGRJCQUYSW-UHFFFAOYSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 32863068) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc(C3CC3)cs2)oc2ccccc12.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ULGIXGRJCQUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-9-11-4-2-3-5-13(11)20-14(9)15(19)18-16-17-12(8-21-16)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32863068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).