N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride

C15H23Cl2N3OS2 — CID 119668132

IUPACN-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)Cc1csc(-c2cccs2)n1.Cl.Cl
InChIInChI=1S/C15H21N3OS2.2ClH/c1-2-3-5-11(9-16)17-14(19)8-12-10-21-15(18-12)13-6-4-7-20-13;;/h4,6-7,10-11H,2-3,5,8-9,16H2,1H3,(H,17,19);2*1H
InChIKeyHQGFKDVLNZZGAP-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.89
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride

N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119668132) has the molecular formula C15H23Cl2N3OS2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119668132
Molecular FormulaC15H23Cl2N3OS2
Molecular Weight396.41 g/mol
Exact Mass395.07
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)Cc1csc(-c2cccs2)n1.Cl.Cl
InChIInChI=1S/C15H21N3OS2.2ClH/c1-2-3-5-11(9-16)17-14(19)8-12-10-21-15(18-12)13-6-4-7-20-13;;/h4,6-7,10-11H,2-3,5,8-9,16H2,1H3,(H,17,19);2*1H
InChIKeyHQGFKDVLNZZGAP-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119664891
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 119668781
N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119666140
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-(1-aminohexan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119666520
N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119668132) is N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CCCCC(CN)NC(=O)Cc1csc(-c2cccs2)n1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is HQGFKDVLNZZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2.2ClH/c1-2-3-5-11(9-16)17-14(19)8-12-10-21-15(18-12)13-6-4-7-20-13;;/h4,6-7,10-11H,2-3,5,8-9,16H2,1H3,(H,17,19);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 396.41 g/mol, XLogP of 3.89, 8 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-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119668132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).