(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C17H16N2O2S2 — CID 8780824

IUPAC(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-5-3-6-13(9-11)21-12(2)16(20)19-17-18-14(10-23-17)15-7-4-8-22-15/h3-10,12H,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyACDQRJYNBONVCP-LBPRGKRZSA-N
MW344.46 g/mol
LogP4.59
Rot. Bonds5

About (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 8780824) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID8780824
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-5-3-6-13(9-11)21-12(2)16(20)19-17-18-14(10-23-17)15-7-4-8-22-15/h3-10,12H,1-2H3,(H,18,19,20)/t12-/m0/s1
InChIKeyACDQRJYNBONVCP-LBPRGKRZSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742139
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2496684
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 8780824) is (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)cs2)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ACDQRJYNBONVCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11-5-3-6-13(9-11)21-12(2)16(20)19-17-18-14(10-23-17)15-7-4-8-22-15/h3-10,12H,1-2H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 8780824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).