N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide

C22H27Cl2FN4OS — CID 175603547

IUPACN-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCC(c1cccc(Cl)c1Cl)(C1CCC(NC(=O)c2nccs2)C(F)C1)N1CCNCC1
InChIInChI=1S/C22H27Cl2FN4OS/c1-22(29-10-7-26-8-11-29,15-3-2-4-16(23)19(15)24)14-5-6-18(17(25)13-14)28-20(30)21-27-9-12-31-21/h2-4,9,12,14,17-18,26H,5-8,10-11,13H2,1H3,(H,28,30)
InChIKeyPFVJCMQLXSLFFX-UHFFFAOYSA-N
MW485.46 g/mol
LogP4.51
Rot. Bonds5

About N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide

N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 175603547) has the molecular formula C22H27Cl2FN4OS and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID175603547
Molecular FormulaC22H27Cl2FN4OS
Molecular Weight485.46 g/mol
Exact Mass484.13
IUPAC NameN-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCC(c1cccc(Cl)c1Cl)(C1CCC(NC(=O)c2nccs2)C(F)C1)N1CCNCC1
InChIInChI=1S/C22H27Cl2FN4OS/c1-22(29-10-7-26-8-11-29,15-3-2-4-16(23)19(15)24)14-5-6-18(17(25)13-14)28-20(30)21-27-9-12-31-21/h2-4,9,12,14,17-18,26H,5-8,10-11,13H2,1H3,(H,28,30)
InChIKeyPFVJCMQLXSLFFX-UHFFFAOYSA-N
XLogP4.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N-(1-(4-chlorophenyl)-2-methylpropyl)thiazole-2-carboxamide
CID 46225341
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 156704330
N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 175603544
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541024
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541184
2-[1-(2-chloro-4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 74229868
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 86951963
3-[1-[2,3-Dichloro-4-[2-(1,3-thiazol-2-yl)ethynyl]phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354010
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1,3-thiazole-2-carbonyl)piperidin-3-yl]urea
CID 165119998
2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540939
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541037
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541064

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide (CID 175603547) is N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide is CC(c1cccc(Cl)c1Cl)(C1CCC(NC(=O)c2nccs2)C(F)C1)N1CCNCC1.
What is the InChIKey of N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is PFVJCMQLXSLFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2FN4OS/c1-22(29-10-7-26-8-11-29,15-3-2-4-16(23)19(15)24)14-5-6-18(17(25)13-14)28-20(30)21-27-9-12-31-21/h2-4,9,12,14,17-18,26H,5-8,10-11,13H2,1H3,(H,28,30).
What are the key properties of N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175603547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).