5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide

C20H26ClN3O3S — CID 60572583

IUPAC5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1
InChIInChI=1S/C20H26ClN3O3S/c1-12(2)26-18-6-5-15(21)7-17(18)19(25)23-20-22-16(11-28-20)10-24-8-13(3)27-14(4)9-24/h5-7,11-14H,8-10H2,1-4H3,(H,22,23,25)
InChIKeyWFTHOOFFRYAXCE-UHFFFAOYSA-N
MW423.97 g/mol
LogP4.45
Rot. Bonds6

About 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide

5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide (PubChem CID 60572583) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
PubChem CID60572583
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1
InChIInChI=1S/C20H26ClN3O3S/c1-12(2)26-18-6-5-15(21)7-17(18)19(25)23-20-22-16(11-28-20)10-24-8-13(3)27-14(4)9-24/h5-7,11-14H,8-10H2,1-4H3,(H,22,23,25)
InChIKeyWFTHOOFFRYAXCE-UHFFFAOYSA-N
XLogP4.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
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
5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60570943
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948076
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxamide
CID 112807851
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92809799
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92809803
4-(difluoromethoxy)-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25487753

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide (CID 60572583) is 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(Cl)cc1C(=O)Nc1nc(CN2CC(C)OC(C)C2)cs1.
What is the InChIKey of 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?
The InChIKey is WFTHOOFFRYAXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-12(2)26-18-6-5-15(21)7-17(18)19(25)23-20-22-16(11-28-20)10-24-8-13(3)27-14(4)9-24/h5-7,11-14H,8-10H2,1-4H3,(H,22,23,25).
What are the key properties of 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide?
5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide has a molecular weight of 423.97 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 60572583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).