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

C18H27Cl2N3OS2 — CID 119639859

IUPACN-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SCc1csc(C)n1.Cl.Cl
InChIInChI=1S/C18H25N3OS2.2ClH/c1-4-18(19,5-2)12-20-17(22)15-8-6-7-9-16(15)24-11-14-10-23-13(3)21-14;;/h6-10H,4-5,11-12,19H2,1-3H3,(H,20,22);2*1H
InChIKeyOLBGCJBKRIUAQV-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.83
Rot. Bonds8

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

N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (PubChem CID 119639859) has the molecular formula C18H27Cl2N3OS2 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
PubChem CID119639859
Molecular FormulaC18H27Cl2N3OS2
Molecular Weight436.47 g/mol
Exact Mass435.10
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SCc1csc(C)n1.Cl.Cl
InChIInChI=1S/C18H25N3OS2.2ClH/c1-4-18(19,5-2)12-20-17(22)15-8-6-7-9-16(15)24-11-14-10-23-13(3)21-14;;/h6-10H,4-5,11-12,19H2,1-3H3,(H,20,22);2*1H
InChIKeyOLBGCJBKRIUAQV-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
N-[2-(methylamino)propyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 120826597
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
5-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]pentanoic acid
CID 119234181
2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241424
N-(1-hydroxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 78857346
N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119665034
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31309321
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 42030584
N-(6-methylheptan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55506970
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenylbutan-2-yl)benzamide
CID 51326786

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (CID 119639859) is N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1ccccc1SCc1csc(C)n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The InChIKey is OLBGCJBKRIUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2.2ClH/c1-4-18(19,5-2)12-20-17(22)15-8-6-7-9-16(15)24-11-14-10-23-13(3)21-14;;/h6-10H,4-5,11-12,19H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride has a molecular weight of 436.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is sourced from PubChem (CID 119639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).