(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide

C19H23Cl2N3O3S — CID 30196289

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESC[C@@H]1CN(Cc2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)C[C@H](C)O1
InChIInChI=1S/C19H23Cl2N3O3S/c1-11-7-24(8-12(2)26-11)9-15-10-28-19(22-15)23-18(25)13(3)27-17-5-4-14(20)6-16(17)21/h4-6,10-13H,7-9H2,1-3H3,(H,22,23,25)/t11-,12+,13-/m0/s1
InChIKeyTVFPEFWPQWMCHJ-XQQFMLRXSA-N
MW444.38 g/mol
LogP4.47
Rot. Bonds6

About (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 30196289) has the molecular formula C19H23Cl2N3O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID30196289
Molecular FormulaC19H23Cl2N3O3S
Molecular Weight444.38 g/mol
Exact Mass443.08
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESC[C@@H]1CN(Cc2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)C[C@H](C)O1
InChIInChI=1S/C19H23Cl2N3O3S/c1-11-7-24(8-12(2)26-11)9-15-10-28-19(22-15)23-18(25)13(3)27-17-5-4-14(20)6-16(17)21/h4-6,10-13H,7-9H2,1-3H3,(H,22,23,25)/t11-,12+,13-/m0/s1
InChIKeyTVFPEFWPQWMCHJ-XQQFMLRXSA-N
XLogP4.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30547645
5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 60572583
(2S)-N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 30197433
4-chloro-N-[(2R)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51672914
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
2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide;dihydrochloride
CID 119840433
ethyl N-[1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55651859
(2S)-2-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119840500
N-[(2S)-1-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 30196112
1-[2-(3-chlorophenoxy)butyl]-3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]urea
CID 146146904
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide (CID 30196289) is (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide is C[C@@H]1CN(Cc2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is TVFPEFWPQWMCHJ-XQQFMLRXSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3S/c1-11-7-24(8-12(2)26-11)9-15-10-28-19(22-15)23-18(25)13(3)27-17-5-4-14(20)6-16(17)21/h4-6,10-13H,7-9H2,1-3H3,(H,22,23,25)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 444.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30196289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).