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

C18H27Cl2N3OS2 — CID 119665034

IUPACN-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccccc1SCc1csc(C)n1.Cl.Cl
InChIInChI=1S/C18H25N3OS2.2ClH/c1-3-4-7-14(10-19)21-18(22)16-8-5-6-9-17(16)24-12-15-11-23-13(2)20-15;;/h5-6,8-9,11,14H,3-4,7,10,12,19H2,1-2H3,(H,21,22);2*1H
InChIKeySASWKTCYOIGVKN-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.83
Rot. Bonds9

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

N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (PubChem CID 119665034) has the molecular formula C18H27Cl2N3OS2 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
PubChem CID119665034
Molecular FormulaC18H27Cl2N3OS2
Molecular Weight436.47 g/mol
Exact Mass435.10
IUPAC NameN-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccccc1SCc1csc(C)n1.Cl.Cl
InChIInChI=1S/C18H25N3OS2.2ClH/c1-3-4-7-14(10-19)21-18(22)16-8-5-6-9-17(16)24-12-15-11-23-13(2)20-15;;/h5-6,8-9,11,14H,3-4,7,10,12,19H2,1-2H3,(H,21,22);2*1H
InChIKeySASWKTCYOIGVKN-UHFFFAOYSA-N
XLogP4.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride with MolForge

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Related Compounds

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N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
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N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride (CID 119665034) is N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is CCCCC(CN)NC(=O)c1ccccc1SCc1csc(C)n1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
The InChIKey is SASWKTCYOIGVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2.2ClH/c1-3-4-7-14(10-19)21-18(22)16-8-5-6-9-17(16)24-12-15-11-23-13(2)20-15;;/h5-6,8-9,11,14H,3-4,7,10,12,19H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride?
N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride has a molecular weight of 436.47 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride is sourced from PubChem (CID 119665034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).