N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

C24H21ClN2O2S — CID 43836971

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)sc1Cc1ccccc1Cl
InChIInChI=1S/C24H21ClN2O2S/c1-16-22(15-18-9-5-6-10-20(18)25)30-24(26-16)27-23(28)14-12-19-11-13-21(29-19)17-7-3-2-4-8-17/h2-11,13H,12,14-15H2,1H3,(H,26,27,28)
InChIKeyGFSSRLGTAFEZEM-UHFFFAOYSA-N
MW436.96 g/mol
LogP6.53
Rot. Bonds7

About N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 43836971) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID43836971
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
SMILESCc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)sc1Cc1ccccc1Cl
InChIInChI=1S/C24H21ClN2O2S/c1-16-22(15-18-9-5-6-10-20(18)25)30-24(26-16)27-23(28)14-12-19-11-13-21(29-19)17-7-3-2-4-8-17/h2-11,13H,12,14-15H2,1H3,(H,26,27,28)
InChIKeyGFSSRLGTAFEZEM-UHFFFAOYSA-N
XLogP6.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide (CID 43836971) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is Cc1nc(NC(=O)CCc2ccc(-c3ccccc3)o2)sc1Cc1ccccc1Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is GFSSRLGTAFEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-16-22(15-18-9-5-6-10-20(18)25)30-24(26-16)27-23(28)14-12-19-11-13-21(29-19)17-7-3-2-4-8-17/h2-11,13H,12,14-15H2,1H3,(H,26,27,28).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 436.96 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 43836971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).