N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride

C20H27Cl2N3OS — CID 25122057

IUPACN-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)NCc2ccc(Cl)cc2)cs/c1=N\C1CCCCCC1
InChIInChI=1S/C20H26ClN3OS.ClH/c1-24-18(12-19(25)22-13-15-8-10-16(21)11-9-15)14-26-20(24)23-17-6-4-2-3-5-7-17;/h8-11,14,17H,2-7,12-13H2,1H3,(H,22,25);1H/b23-20-;
InChIKeyGXFDXRNAVRZKOU-QTXBERLJSA-N
MW428.43 g/mol
LogP4.64
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride

N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride (PubChem CID 25122057) has the molecular formula C20H27Cl2N3OS and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
PubChem CID25122057
Molecular FormulaC20H27Cl2N3OS
Molecular Weight428.43 g/mol
Exact Mass427.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)NCc2ccc(Cl)cc2)cs/c1=N\C1CCCCCC1
InChIInChI=1S/C20H26ClN3OS.ClH/c1-24-18(12-19(25)22-13-15-8-10-16(21)11-9-15)14-26-20(24)23-17-6-4-2-3-5-7-17;/h8-11,14,17H,2-7,12-13H2,1H3,(H,22,25);1H/b23-20-;
InChIKeyGXFDXRNAVRZKOU-QTXBERLJSA-N
XLogP4.64
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

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CID 25122055
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CID 25122431
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
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2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
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CID 9265296
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
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N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride (CID 25122057) is N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride is Cl.Cn1c(CC(=O)NCc2ccc(Cl)cc2)cs/c1=N\C1CCCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
The InChIKey is GXFDXRNAVRZKOU-QTXBERLJSA-N. The full InChI is InChI=1S/C20H26ClN3OS.ClH/c1-24-18(12-19(25)22-13-15-8-10-16(21)11-9-15)14-26-20(24)23-17-6-4-2-3-5-7-17;/h8-11,14,17H,2-7,12-13H2,1H3,(H,22,25);1H/b23-20-;.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride?
N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride has a molecular weight of 428.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 25122057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).