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

C20H21N3O2S — CID 3891823

IUPACN-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCOc1ccc(Nc2nc(-c3ccc(NC(=O)CC)cc3)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-19(24)21-15-7-5-14(6-8-15)18-13-26-20(23-18)22-16-9-11-17(12-10-16)25-4-2/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUCGXQSMZSZJUAW-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.30
Rot. Bonds7

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

N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 3891823) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID3891823
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCOc1ccc(Nc2nc(-c3ccc(NC(=O)CC)cc3)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-19(24)21-15-7-5-14(6-8-15)18-13-26-20(23-18)22-16-9-11-17(12-10-16)25-4-2/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUCGXQSMZSZJUAW-UHFFFAOYSA-N
XLogP5.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 28856284
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide (CID 3891823) is N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide is CCOc1ccc(Nc2nc(-c3ccc(NC(=O)CC)cc3)cs2)cc1.
What is the InChIKey of N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is UCGXQSMZSZJUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-19(24)21-15-7-5-14(6-8-15)18-13-26-20(23-18)22-16-9-11-17(12-10-16)25-4-2/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide?
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 3891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).