N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C23H23ClFN3OS — CID 55986108

IUPACN-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(Cc2c(F)cccc2Cl)C2CC2)cs1
InChIInChI=1S/C23H23ClFN3OS/c1-15-6-8-19(9-7-15)28(16(2)29)23-26-17(14-30-23)12-27(18-10-11-18)13-20-21(24)4-3-5-22(20)25/h3-9,14,18H,10-13H2,1-2H3
InChIKeyUDTGAYBGKXBNCC-UHFFFAOYSA-N
MW443.98 g/mol
LogP6.09
Rot. Bonds7

About N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 55986108) has the molecular formula C23H23ClFN3OS and a molecular weight of 443.98 g/mol. Its IUPAC name is N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID55986108
Molecular FormulaC23H23ClFN3OS
Molecular Weight443.98 g/mol
Exact Mass443.12
IUPAC NameN-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(Cc2c(F)cccc2Cl)C2CC2)cs1
InChIInChI=1S/C23H23ClFN3OS/c1-15-6-8-19(9-7-15)28(16(2)29)23-26-17(14-30-23)12-27(18-10-11-18)13-20-21(24)4-3-5-22(20)25/h3-9,14,18H,10-13H2,1-2H3
InChIKeyUDTGAYBGKXBNCC-UHFFFAOYSA-N
XLogP6.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

2-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78826443
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
N-[4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986998
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 33195854
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
CID 47524069
N-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-N-cyclopropylacetamide
CID 46516917
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46536550
N-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111102159

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 55986108) is N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is CC(=O)N(c1ccc(C)cc1)c1nc(CN(Cc2c(F)cccc2Cl)C2CC2)cs1.
What is the InChIKey of N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is UDTGAYBGKXBNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3OS/c1-15-6-8-19(9-7-15)28(16(2)29)23-26-17(14-30-23)12-27(18-10-11-18)13-20-21(24)4-3-5-22(20)25/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 443.98 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55986108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).