N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide

C20H20N2O2S — CID 9356398

IUPACN-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-5-19(23)21-16-10-8-14(9-11-16)18-13-25-20(22-18)15-6-4-7-17(12-15)24-2/h4,6-13H,3,5H2,1-2H3,(H,21,23)
InChIKeyCMTRZSNOJOGQMT-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.22
Rot. Bonds6

About N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide

N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 9356398) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID9356398
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-5-19(23)21-16-10-8-14(9-11-16)18-13-25-20(22-18)15-6-4-7-17(12-15)24-2/h4,6-13H,3,5H2,1-2H3,(H,21,23)
InChIKeyCMTRZSNOJOGQMT-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9344065
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 3674330
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide (CID 9356398) is N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(-c3cccc(OC)c3)n2)cc1.
What is the InChIKey of N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is CMTRZSNOJOGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-5-19(23)21-16-10-8-14(9-11-16)18-13-25-20(22-18)15-6-4-7-17(12-15)24-2/h4,6-13H,3,5H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide?
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 352.46 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 9356398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).