(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

C17H19Cl2N3O3S — CID 30547645

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H19Cl2N3O3S/c1-11(25-15-3-2-12(18)8-14(15)19)16(23)21-17-20-13(10-26-17)9-22-4-6-24-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21,23)/t11-/m1/s1
InChIKeyRDBNBRVQKQSYKS-LLVKDONJSA-N
MW416.33 g/mol
LogP3.69
Rot. Bonds6

About (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30547645) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID30547645
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H19Cl2N3O3S/c1-11(25-15-3-2-12(18)8-14(15)19)16(23)21-17-20-13(10-26-17)9-22-4-6-24-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21,23)/t11-/m1/s1
InChIKeyRDBNBRVQKQSYKS-LLVKDONJSA-N
XLogP3.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide with MolForge

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 30196289
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 55832085
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 4547348
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
ethyl 2-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18287510
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 95296825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 30547645) is (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RDBNBRVQKQSYKS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-11(25-15-3-2-12(18)8-14(15)19)16(23)21-17-20-13(10-26-17)9-22-4-6-24-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,20,21,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 416.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30547645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).