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

C18H24N2O2S — CID 110333218

IUPAC3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(-c2nc(CCC(=O)NCCC(C)C)cs2)c1
InChIInChI=1S/C18H24N2O2S/c1-13(2)9-10-19-17(21)8-7-15-12-23-18(20-15)14-5-4-6-16(11-14)22-3/h4-6,11-13H,7-10H2,1-3H3,(H,19,21)
InChIKeySMBGOOPBJGFVCH-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.91
Rot. Bonds8

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

3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 110333218) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID110333218
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1cccc(-c2nc(CCC(=O)NCCC(C)C)cs2)c1
InChIInChI=1S/C18H24N2O2S/c1-13(2)9-10-19-17(21)8-7-15-12-23-18(20-15)14-5-4-6-16(11-14)22-3/h4-6,11-13H,7-10H2,1-3H3,(H,19,21)
InChIKeySMBGOOPBJGFVCH-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
(2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 29131429
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
4-[3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propanoyl]piperazine-1-carbaldehyde
CID 110333190
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 55570324

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide (CID 110333218) is 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide is COc1cccc(-c2nc(CCC(=O)NCCC(C)C)cs2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is SMBGOOPBJGFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(2)9-10-19-17(21)8-7-15-12-23-18(20-15)14-5-4-6-16(11-14)22-3/h4-6,11-13H,7-10H2,1-3H3,(H,19,21).
What are the key properties of 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide?
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110333218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).