N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide

C20H21ClN2O2S — CID 2497344

IUPACN-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O2S/c1-14-4-3-5-18(12-14)25-11-10-19(24)23(20-22-15(2)13-26-20)17-8-6-16(21)7-9-17/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyZIWMLMBUGGQWJW-OAHLLOKOSA-N
MW388.92 g/mol
LogP4.94
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide

N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide (PubChem CID 2497344) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide
PubChem CID2497344
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O2S/c1-14-4-3-5-18(12-14)25-11-10-19(24)23(20-22-15(2)13-26-20)17-8-6-16(21)7-9-17/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyZIWMLMBUGGQWJW-OAHLLOKOSA-N
XLogP4.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 8750258
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750388
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 2539101
N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 8834206
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750367
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
CID 62819149
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide (CID 2497344) is N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide?
The InChIKey is ZIWMLMBUGGQWJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-14-4-3-5-18(12-14)25-11-10-19(24)23(20-22-15(2)13-26-20)17-8-6-16(21)7-9-17/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide?
N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide has a molecular weight of 388.92 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2497344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).