N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

C20H16N2O2S — CID 8702470

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C20H16N2O2S/c23-19(11-10-14-6-2-1-3-7-14)22-20-21-16(13-25-20)18-12-15-8-4-5-9-17(15)24-18/h1-9,12-13H,10-11H2,(H,21,22,23)
InChIKeyCCDZUTSPRMMAJS-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.13
Rot. Bonds5

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 8702470) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID8702470
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C20H16N2O2S/c23-19(11-10-14-6-2-1-3-7-14)22-20-21-16(13-25-20)18-12-15-8-4-5-9-17(15)24-18/h1-9,12-13H,10-11H2,(H,21,22,23)
InChIKeyCCDZUTSPRMMAJS-UHFFFAOYSA-N
XLogP5.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 41255563
4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 25319300
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 18589698
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 8702534
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 25319309
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
N-[2-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 112799500
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60528485
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 8702470) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is CCDZUTSPRMMAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19(11-10-14-6-2-1-3-7-14)22-20-21-16(13-25-20)18-12-15-8-4-5-9-17(15)24-18/h1-9,12-13H,10-11H2,(H,21,22,23).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 348.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 8702470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).