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

C18H14N2O2S — CID 41036911

IUPAC(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H14N2O2S/c21-17(16-11-13-3-1-2-4-15(13)22-16)20-14-7-5-12(6-8-14)18-19-9-10-23-18/h1-10,16H,11H2,(H,20,21)/t16-/m0/s1
InChIKeyKUTUDZZVALDLKE-INIZCTEOSA-N
MW322.39 g/mol
LogP3.75
Rot. Bonds3

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

(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 41036911) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID41036911
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H14N2O2S/c21-17(16-11-13-3-1-2-4-15(13)22-16)20-14-7-5-12(6-8-14)18-19-9-10-23-18/h1-10,16H,11H2,(H,20,21)/t16-/m0/s1
InChIKeyKUTUDZZVALDLKE-INIZCTEOSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 41036911) is (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KUTUDZZVALDLKE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-17(16-11-13-3-1-2-4-15(13)22-16)20-14-7-5-12(6-8-14)18-19-9-10-23-18/h1-10,16H,11H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41036911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).