N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H20ClN3OS — CID 8636034

IUPACN-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN[C@H](C)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H20ClN3OS/c1-14(16-8-10-17(21)11-9-16)22-12-18-13-26-20(23-18)24(15(2)25)19-6-4-3-5-7-19/h3-11,13-14,22H,12H2,1-2H3/t14-/m1/s1
InChIKeyKFKZIHMDZLYILF-CQSZACIVSA-N
MW385.92 g/mol
LogP5.33
Rot. Bonds6

About N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 8636034) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID8636034
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN[C@H](C)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H20ClN3OS/c1-14(16-8-10-17(21)11-9-16)22-12-18-13-26-20(23-18)24(15(2)25)19-6-4-3-5-7-19/h3-11,13-14,22H,12H2,1-2H3/t14-/m1/s1
InChIKeyKFKZIHMDZLYILF-CQSZACIVSA-N
XLogP5.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8635922
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911
N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78733668
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8916086
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772074
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624757
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
3-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylamino]benzamide
CID 146125202
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636274
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8635871

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 8636034) is N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CN[C@H](C)c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is KFKZIHMDZLYILF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-14(16-8-10-17(21)11-9-16)22-12-18-13-26-20(23-18)24(15(2)25)19-6-4-3-5-7-19/h3-11,13-14,22H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 385.92 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 8636034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).