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

C22H27Cl2FN4OS — CID 175603544

IUPACN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1F)c1nccs1
InChIInChI=1S/C22H27Cl2FN4OS/c23-16-3-1-2-15(20(16)24)19(29-9-6-26-7-10-29)13-14-4-5-18(17(25)12-14)28-21(30)22-27-8-11-31-22/h1-3,8,11,14,17-19,26H,4-7,9-10,12-13H2,(H,28,30)
InChIKeyLZZVZSPKKUBJOK-UHFFFAOYSA-N
MW485.46 g/mol
LogP4.72
Rot. Bonds6

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

N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 175603544) has the molecular formula C22H27Cl2FN4OS and a molecular weight of 485.46 g/mol. Its IUPAC name is N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID175603544
Molecular FormulaC22H27Cl2FN4OS
Molecular Weight485.46 g/mol
Exact Mass484.13
IUPAC NameN-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1F)c1nccs1
InChIInChI=1S/C22H27Cl2FN4OS/c23-16-3-1-2-15(20(16)24)19(29-9-6-26-7-10-29)13-14-4-5-18(17(25)12-14)28-21(30)22-27-8-11-31-22/h1-3,8,11,14,17-19,26H,4-7,9-10,12-13H2,(H,28,30)
InChIKeyLZZVZSPKKUBJOK-UHFFFAOYSA-N
XLogP4.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 54.72
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-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 175603547
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
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2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541184
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CID 56541333
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CID 74229868
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CID 86951963
1-[(3,4-dichlorophenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 9885029
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
N-[1-(4-aminocyclohexyl)-2-oxo-2-(1,3-thiazol-2-yl)ethyl]-2-[2-benzyl-4-[3-(3,4-dichlorophenyl)propyl]-3,6-dioxopiperazin-1-yl]acetamide
CID 153720166
2-[(3,4-dichlorophenyl)methylamino]-4-methanimidoyl-5-[[1-(1,3-thiazole-2-carbonyl)piperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 154962363

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide (CID 175603544) is N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide is O=C(NC1CCC(CC(c2cccc(Cl)c2Cl)N2CCNCC2)CC1F)c1nccs1.
What is the InChIKey of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is LZZVZSPKKUBJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2FN4OS/c23-16-3-1-2-15(20(16)24)19(29-9-6-26-7-10-29)13-14-4-5-18(17(25)12-14)28-21(30)22-27-8-11-31-22/h1-3,8,11,14,17-19,26H,4-7,9-10,12-13H2,(H,28,30).
What are the key properties of N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide?
N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dichlorophenyl)-2-piperazin-1-ylethyl]-2-fluorocyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175603544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).