(2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide

C20H16ClN3O2S — CID 25390735

IUPAC(2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C20H16ClN3O2S/c1-13(26-16-9-5-8-15(21)12-16)19(25)23-18-17(14-6-3-2-4-7-14)22-20-24(18)10-11-27-20/h2-13H,1H3,(H,23,25)/t13-/m1/s1
InChIKeyWAQAHOJYBVVSIJ-CYBMUJFWSA-N
MW397.89 g/mol
LogP5.12
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide

(2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide (PubChem CID 25390735) has the molecular formula C20H16ClN3O2S and a molecular weight of 397.89 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide
PubChem CID25390735
Molecular FormulaC20H16ClN3O2S
Molecular Weight397.89 g/mol
Exact Mass397.07
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C20H16ClN3O2S/c1-13(26-16-9-5-8-15(21)12-16)19(25)23-18-17(14-6-3-2-4-7-14)22-20-24(18)10-11-27-20/h2-13H,1H3,(H,23,25)/t13-/m1/s1
InChIKeyWAQAHOJYBVVSIJ-CYBMUJFWSA-N
XLogP5.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenoxypropanamide
CID 18272044
(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 874230
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
CID 104820692
methyl 3-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 898480
2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide
CID 86875522
2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide (CID 25390735) is (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide?
The InChIKey is WAQAHOJYBVVSIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16ClN3O2S/c1-13(26-16-9-5-8-15(21)12-16)19(25)23-18-17(14-6-3-2-4-7-14)22-20-24(18)10-11-27-20/h2-13H,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide has a molecular weight of 397.89 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)propanamide is sourced from PubChem (CID 25390735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).