3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide

C24H27N3O2S — CID 3887660

IUPAC3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCOc1cccc(Nc2nc(-c3cccc(NC(=O)CCC4CCCC4)c3)cs2)c1
InChIInChI=1S/C24H27N3O2S/c1-29-21-11-5-10-20(15-21)26-24-27-22(16-30-24)18-8-4-9-19(14-18)25-23(28)13-12-17-6-2-3-7-17/h4-5,8-11,14-17H,2-3,6-7,12-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyJYEKYULCWVIPBI-UHFFFAOYSA-N
MW421.57 g/mol
LogP6.47
Rot. Bonds8

About 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide

3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 3887660) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID3887660
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCOc1cccc(Nc2nc(-c3cccc(NC(=O)CCC4CCCC4)c3)cs2)c1
InChIInChI=1S/C24H27N3O2S/c1-29-21-11-5-10-20(15-21)26-24-27-22(16-30-24)18-8-4-9-19(14-18)25-23(28)13-12-17-6-2-3-7-17/h4-5,8-11,14-17H,2-3,6-7,12-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyJYEKYULCWVIPBI-UHFFFAOYSA-N
XLogP6.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3526507
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide (CID 3887660) is 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide is COc1cccc(Nc2nc(-c3cccc(NC(=O)CCC4CCCC4)c3)cs2)c1.
What is the InChIKey of 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is JYEKYULCWVIPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-29-21-11-5-10-20(15-21)26-24-27-22(16-30-24)18-8-4-9-19(14-18)25-23(28)13-12-17-6-2-3-7-17/h4-5,8-11,14-17H,2-3,6-7,12-13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 421.57 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 3887660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).