N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide

C20H19ClN2O2S — CID 177147543

IUPACN-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
SMILESCc1nc(NC(=O)COCc2ccccc2)sc1Cc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O2S/c1-14-18(11-16-8-5-9-17(21)10-16)26-20(22-14)23-19(24)13-25-12-15-6-3-2-4-7-15/h2-10H,11-13H2,1H3,(H,22,23,24)
InChIKeyGCUCOWCCBPAZAJ-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.85
Rot. Bonds7

About N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide

N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide (PubChem CID 177147543) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
PubChem CID177147543
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
SMILESCc1nc(NC(=O)COCc2ccccc2)sc1Cc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O2S/c1-14-18(11-16-8-5-9-17(21)10-16)26-20(22-14)23-19(24)13-25-12-15-6-3-2-4-7-15/h2-10H,11-13H2,1H3,(H,22,23,24)
InChIKeyGCUCOWCCBPAZAJ-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43836394
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119736981
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119736978
5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43836952
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 120589491
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide
CID 55904524
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 43836880
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide
CID 43836898
4-(aminomethyl)-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 120926095
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 43837274

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide (CID 177147543) is N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide is Cc1nc(NC(=O)COCc2ccccc2)sc1Cc1cccc(Cl)c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
The InChIKey is GCUCOWCCBPAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-14-18(11-16-8-5-9-17(21)10-16)26-20(22-14)23-19(24)13-25-12-15-6-3-2-4-7-15/h2-10H,11-13H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide has a molecular weight of 386.90 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 177147543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).