2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide

C20H24ClF2N5OS — CID 134404966

IUPAC2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncc(C(CNC(=O)c2cc(/C(N)=C/N)ccc2Cl)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C20H24ClF2N5OS/c1-12-26-11-18(30-12)17(28-6-4-20(22,23)5-7-28)10-27-19(29)14-8-13(16(25)9-24)2-3-15(14)21/h2-3,8-9,11,17H,4-7,10,24-25H2,1H3,(H,27,29)/b16-9-
InChIKeyWMFRXPXFICCPOM-SXGWCWSVSA-N
MW455.96 g/mol
LogP3.52
Rot. Bonds6

About 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide

2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 134404966) has the molecular formula C20H24ClF2N5OS and a molecular weight of 455.96 g/mol. Its IUPAC name is 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID134404966
Molecular FormulaC20H24ClF2N5OS
Molecular Weight455.96 g/mol
Exact Mass455.14
IUPAC Name2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncc(C(CNC(=O)c2cc(/C(N)=C/N)ccc2Cl)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C20H24ClF2N5OS/c1-12-26-11-18(30-12)17(28-6-4-20(22,23)5-7-28)10-27-19(29)14-8-13(16(25)9-24)2-3-15(14)21/h2-3,8-9,11,17H,4-7,10,24-25H2,1H3,(H,27,29)/b16-9-
InChIKeyWMFRXPXFICCPOM-SXGWCWSVSA-N
XLogP3.52
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.96
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)-2-(4-phenylmethoxypiperidin-1-yl)ethyl]benzamide
CID 118289482
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CID 134404918
2-chloro-N-[2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(5-fluoropyrimidin-2-yl)benzamide
CID 118289476
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide
CID 144603725
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-3-ethenylpent-3-enyl]-3-methylbenzamide
CID 123413585
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-[trimethyl(oxo)-λ6-sulfanyl]pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 162557905
6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide
CID 39987741
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
6-chloro-N-[2-[2-(diethylamino)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
CID 143883953
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 134404966) is 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncc(C(CNC(=O)c2cc(/C(N)=C/N)ccc2Cl)N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is WMFRXPXFICCPOM-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H24ClF2N5OS/c1-12-26-11-18(30-12)17(28-6-4-20(22,23)5-7-28)10-27-19(29)14-8-13(16(25)9-24)2-3-15(14)21/h2-3,8-9,11,17H,4-7,10,24-25H2,1H3,(H,27,29)/b16-9-.
What are the key properties of 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 455.96 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(Z)-1,2-diaminoethenyl]-N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 134404966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).