N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide

C23H26N2O2S — CID 3649680

IUPACN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)CCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H26N2O2S/c1-4-16(2)18-8-10-19(11-9-18)21-15-28-23(24-21)25-22(26)14-7-17-5-12-20(27-3)13-6-17/h5-6,8-13,15-16H,4,7,14H2,1-3H3,(H,24,25,26)
InChIKeyWGRSOWAACPQFAA-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.90
Rot. Bonds8

About N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide

N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 3649680) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID3649680
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCCC(C)c1ccc(-c2csc(NC(=O)CCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C23H26N2O2S/c1-4-16(2)18-8-10-19(11-9-18)21-15-28-23(24-21)25-22(26)14-7-17-5-12-20(27-3)13-6-17/h5-6,8-13,15-16H,4,7,14H2,1-3H3,(H,24,25,26)
InChIKeyWGRSOWAACPQFAA-UHFFFAOYSA-N
XLogP5.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoate
CID 6974874
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-4-chlorobutanamide
CID 4129995
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide (CID 3649680) is N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide is CCC(C)c1ccc(-c2csc(NC(=O)CCc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is WGRSOWAACPQFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-4-16(2)18-8-10-19(11-9-18)21-15-28-23(24-21)25-22(26)14-7-17-5-12-20(27-3)13-6-17/h5-6,8-13,15-16H,4,7,14H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 394.54 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3649680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).