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

C23H26N2O3S — CID 19229212

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
SMILESCOc1ccccc1-c1csc(NC(=O)CCCOc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C23H26N2O3S/c1-16(2)17-10-12-18(13-11-17)28-14-6-9-22(26)25-23-24-20(15-29-23)19-7-4-5-8-21(19)27-3/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,25,26)
InChIKeyGJAJBGLCTUGFOC-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.74
Rot. Bonds9

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

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide (PubChem CID 19229212) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
PubChem CID19229212
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
SMILESCOc1ccccc1-c1csc(NC(=O)CCCOc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C23H26N2O3S/c1-16(2)17-10-12-18(13-11-17)28-14-6-9-22(26)25-23-24-20(15-29-23)19-7-4-5-8-21(19)27-3/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,25,26)
InChIKeyGJAJBGLCTUGFOC-UHFFFAOYSA-N
XLogP5.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.74
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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Related Compounds

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 16562191
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 19206271
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19206344

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide (CID 19229212) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide is COc1ccccc1-c1csc(NC(=O)CCCOc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide?
The InChIKey is GJAJBGLCTUGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16(2)17-10-12-18(13-11-17)28-14-6-9-22(26)25-23-24-20(15-29-23)19-7-4-5-8-21(19)27-3/h4-5,7-8,10-13,15-16H,6,9,14H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide has a molecular weight of 410.54 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 19229212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).