N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride

C18H27Cl2N3OS2 — CID 119586766

IUPACN-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCc1nc(CSc2ccc(C(=O)NC(CN)CC(C)C)cc2)cs1.Cl.Cl
InChIInChI=1S/C18H25N3OS2.2ClH/c1-12(2)8-15(9-19)21-18(22)14-4-6-17(7-5-14)24-11-16-10-23-13(3)20-16;;/h4-7,10,12,15H,8-9,11,19H2,1-3H3,(H,21,22);2*1H
InChIKeyZIKHJFNMCAHXEW-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.69
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (PubChem CID 119586766) has the molecular formula C18H27Cl2N3OS2 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
PubChem CID119586766
Molecular FormulaC18H27Cl2N3OS2
Molecular Weight436.47 g/mol
Exact Mass435.10
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCc1nc(CSc2ccc(C(=O)NC(CN)CC(C)C)cc2)cs1.Cl.Cl
InChIInChI=1S/C18H25N3OS2.2ClH/c1-12(2)8-15(9-19)21-18(22)14-4-6-17(7-5-14)24-11-16-10-23-13(3)20-16;;/h4-7,10,12,15H,8-9,11,19H2,1-3H3,(H,21,22);2*1H
InChIKeyZIKHJFNMCAHXEW-UHFFFAOYSA-N
XLogP4.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride with MolForge

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
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N-[1-(2-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
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N-[3-(aminomethyl)pentan-3-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
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4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-phenoxyethyl)benzamide
CID 134024182
N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (CID 119586766) is N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is Cc1nc(CSc2ccc(C(=O)NC(CN)CC(C)C)cc2)cs1.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The InChIKey is ZIKHJFNMCAHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2.2ClH/c1-12(2)8-15(9-19)21-18(22)14-4-6-17(7-5-14)24-11-16-10-23-13(3)20-16;;/h4-7,10,12,15H,8-9,11,19H2,1-3H3,(H,21,22);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride has a molecular weight of 436.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is sourced from PubChem (CID 119586766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).