N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide

C21H28ClN3O4S — CID 46150157

IUPACN-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCC(=O)N(CCN1CCOCC1)Cc1cc(Cl)ccc1OCc1nc(CO)cs1
InChIInChI=1S/C21H28ClN3O4S/c1-2-21(27)25(6-5-24-7-9-28-10-8-24)12-16-11-17(22)3-4-19(16)29-14-20-23-18(13-26)15-30-20/h3-4,11,15,26H,2,5-10,12-14H2,1H3
InChIKeySQXGIOGZRHRAGG-UHFFFAOYSA-N
MW453.99 g/mol
LogP2.94
Rot. Bonds10

About N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide

N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 46150157) has the molecular formula C21H28ClN3O4S and a molecular weight of 453.99 g/mol. Its IUPAC name is N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID46150157
Molecular FormulaC21H28ClN3O4S
Molecular Weight453.99 g/mol
Exact Mass453.15
IUPAC NameN-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCC(=O)N(CCN1CCOCC1)Cc1cc(Cl)ccc1OCc1nc(CO)cs1
InChIInChI=1S/C21H28ClN3O4S/c1-2-21(27)25(6-5-24-7-9-28-10-8-24)12-16-11-17(22)3-4-19(16)29-14-20-23-18(13-26)15-30-20/h3-4,11,15,26H,2,5-10,12-14H2,1H3
InChIKeySQXGIOGZRHRAGG-UHFFFAOYSA-N
XLogP2.94
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.99
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbutanamide
CID 46006503
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46013165
2-methyl-N-(2-morpholin-4-ylethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008507
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methylbenzamide
CID 46006504
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 46009373
N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42836806
N-butan-2-yl-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methylbenzamide
CID 46006483
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide
CID 42837942
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 42836776
3-bromo-N-[(2S)-butan-2-yl]-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
CID 93160283
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42836750
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93160304

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide (CID 46150157) is N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide is CCC(=O)N(CCN1CCOCC1)Cc1cc(Cl)ccc1OCc1nc(CO)cs1.
What is the InChIKey of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is SQXGIOGZRHRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O4S/c1-2-21(27)25(6-5-24-7-9-28-10-8-24)12-16-11-17(22)3-4-19(16)29-14-20-23-18(13-26)15-30-20/h3-4,11,15,26H,2,5-10,12-14H2,1H3.
What are the key properties of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 453.99 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 46150157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).