(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide

C17H16N2O3S — CID 921733

IUPAC(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccccc1[C@H](CC(=O)Nc1nccs1)c1ccco1
InChIInChI=1S/C17H16N2O3S/c1-21-14-6-3-2-5-12(14)13(15-7-4-9-22-15)11-16(20)19-17-18-8-10-23-17/h2-10,13H,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyCHUFXUXAOSIXRO-ZDUSSCGKSA-N
MW328.39 g/mol
LogP3.91
Rot. Bonds6

About (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide

(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 921733) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID921733
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccccc1[C@H](CC(=O)Nc1nccs1)c1ccco1
InChIInChI=1S/C17H16N2O3S/c1-21-14-6-3-2-5-12(14)13(15-7-4-9-22-15)11-16(20)19-17-18-8-10-23-17/h2-10,13H,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyCHUFXUXAOSIXRO-ZDUSSCGKSA-N
XLogP3.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 51944210
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
CID 23745766
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 66521973
N-ethyl-2-methoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814268
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 921733) is (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is COc1ccccc1[C@H](CC(=O)Nc1nccs1)c1ccco1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CHUFXUXAOSIXRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-14-6-3-2-5-12(14)13(15-7-4-9-22-15)11-16(20)19-17-18-8-10-23-17/h2-10,13H,11H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 921733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).