N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide

C19H16N2O2S2 — CID 90876433

IUPACN-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCc1nc(-c2cc3ccccc3o2)cs1)c1cccs1
InChIInChI=1S/C19H16N2O2S2/c22-19(17-7-4-10-24-17)20-9-3-8-18-21-14(12-25-18)16-11-13-5-1-2-6-15(13)23-16/h1-2,4-7,10-12H,3,8-9H2,(H,20,22)
InChIKeyYRDKHDHAUANFOU-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.98
Rot. Bonds6

About N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide

N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide (PubChem CID 90876433) has the molecular formula C19H16N2O2S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide
PubChem CID90876433
Molecular FormulaC19H16N2O2S2
Molecular Weight368.48 g/mol
Exact Mass368.07
IUPAC NameN-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCc1nc(-c2cc3ccccc3o2)cs1)c1cccs1
InChIInChI=1S/C19H16N2O2S2/c22-19(17-7-4-10-24-17)20-9-3-8-18-21-14(12-25-18)16-11-13-5-1-2-6-15(13)23-16/h1-2,4-7,10-12H,3,8-9H2,(H,20,22)
InChIKeyYRDKHDHAUANFOU-UHFFFAOYSA-N
XLogP4.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide (CID 90876433) is N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide is O=C(NCCCc1nc(-c2cc3ccccc3o2)cs1)c1cccs1.
What is the InChIKey of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide?
The InChIKey is YRDKHDHAUANFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S2/c22-19(17-7-4-10-24-17)20-9-3-8-18-21-14(12-25-18)16-11-13-5-1-2-6-15(13)23-16/h1-2,4-7,10-12H,3,8-9H2,(H,20,22).
What are the key properties of N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide?
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 90876433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).