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

C20H20ClN3OS — CID 8541797

IUPACN-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN(C)Cc2ccccc2Cl)cs1
InChIInChI=1S/C20H20ClN3OS/c1-15(25)24(18-9-4-3-5-10-18)20-22-17(14-26-20)13-23(2)12-16-8-6-7-11-19(16)21/h3-11,14H,12-13H2,1-2H3
InChIKeyNIYGTSDDFRZHRY-UHFFFAOYSA-N
MW385.92 g/mol
LogP5.11
Rot. Bonds6

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

N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 8541797) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID8541797
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN(C)Cc2ccccc2Cl)cs1
InChIInChI=1S/C20H20ClN3OS/c1-15(25)24(18-9-4-3-5-10-18)20-22-17(14-26-20)13-23(2)12-16-8-6-7-11-19(16)21/h3-11,14H,12-13H2,1-2H3
InChIKeyNIYGTSDDFRZHRY-UHFFFAOYSA-N
XLogP5.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 34115692
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
CID 47524069
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904019
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624757
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8636034
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 8541797) is N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CN(C)Cc2ccccc2Cl)cs1.
What is the InChIKey of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is NIYGTSDDFRZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-15(25)24(18-9-4-3-5-10-18)20-22-17(14-26-20)13-23(2)12-16-8-6-7-11-19(16)21/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 385.92 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 8541797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).