N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide

C22H31N3O3S — CID 108768953

IUPACN-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N(C)Cc1csc(CN2CCOCC2)n1
InChIInChI=1S/C22H31N3O3S/c1-16(2)18-5-7-20(8-6-18)28-17(3)22(26)24(4)13-19-15-29-21(23-19)14-25-9-11-27-12-10-25/h5-8,15-17H,9-14H2,1-4H3
InChIKeySGQMZMHYRJVPTO-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.52
Rot. Bonds8

About N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide

N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108768953) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108768953
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N(C)Cc1csc(CN2CCOCC2)n1
InChIInChI=1S/C22H31N3O3S/c1-16(2)18-5-7-20(8-6-18)28-17(3)22(26)24(4)13-19-15-29-21(23-19)14-25-9-11-27-12-10-25/h5-8,15-17H,9-14H2,1-4H3
InChIKeySGQMZMHYRJVPTO-UHFFFAOYSA-N
XLogP3.52
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
CID 108768919
2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108768896
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108746731
4-hydroxy-1-(2-methoxyphenyl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-6-oxopyridazine-3-carboxamide
CID 108809359

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108768953) is N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)N(C)Cc1csc(CN2CCOCC2)n1.
What is the InChIKey of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is SGQMZMHYRJVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-16(2)18-5-7-20(8-6-18)28-17(3)22(26)24(4)13-19-15-29-21(23-19)14-25-9-11-27-12-10-25/h5-8,15-17H,9-14H2,1-4H3.
What are the key properties of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 417.58 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108768953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).