N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide

C25H29N3O3S — CID 56640962

IUPACN-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(CNC(=O)Cc2csc(-c3ccc(OCCN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C25H29N3O3S/c1-19-2-4-20(5-3-19)17-26-24(29)16-22-18-32-25(27-22)21-6-8-23(9-7-21)31-15-12-28-10-13-30-14-11-28/h2-9,18H,10-17H2,1H3,(H,26,29)
InChIKeyHKKPNWHNIOWVEC-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.69
Rot. Bonds9

About N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide

N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 56640962) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID56640962
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(CNC(=O)Cc2csc(-c3ccc(OCCN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C25H29N3O3S/c1-19-2-4-20(5-3-19)17-26-24(29)16-22-18-32-25(27-22)21-6-8-23(9-7-21)31-15-12-28-10-13-30-14-11-28/h2-9,18H,10-17H2,1H3,(H,26,29)
InChIKeyHKKPNWHNIOWVEC-UHFFFAOYSA-N
XLogP3.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
(S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 25217513
[4-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 68497905
4-[2-[4-(4-benzyloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71504973
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
N-butyl-N-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethyl]butan-1-amine;hydrochloride
CID 14146318
2-Phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
CID 14146330
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
2-[1-(2-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24817732

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (CID 56640962) is N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(CNC(=O)Cc2csc(-c3ccc(OCCN4CCOCC4)cc3)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is HKKPNWHNIOWVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-19-2-4-20(5-3-19)17-26-24(29)16-22-18-32-25(27-22)21-6-8-23(9-7-21)31-15-12-28-10-13-30-14-11-28/h2-9,18H,10-17H2,1H3,(H,26,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 451.59 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 56640962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).