N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride

C19H28ClN3OS — CID 119664891

IUPACN-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cc1csc(-c2ccc(CC)cc2)n1.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-3-5-6-16(12-20)21-18(23)11-17-13-24-19(22-17)15-9-7-14(4-2)8-10-15;/h7-10,13,16H,3-6,11-12,20H2,1-2H3,(H,21,23);1H
InChIKeyFPBNLMAHBYHFGG-UHFFFAOYSA-N
MW381.97 g/mol
LogP3.97
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride (PubChem CID 119664891) has the molecular formula C19H28ClN3OS and a molecular weight of 381.97 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
PubChem CID119664891
Molecular FormulaC19H28ClN3OS
Molecular Weight381.97 g/mol
Exact Mass381.16
IUPAC NameN-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)Cc1csc(-c2ccc(CC)cc2)n1.Cl
InChIInChI=1S/C19H27N3OS.ClH/c1-3-5-6-16(12-20)21-18(23)11-17-13-24-19(22-17)15-9-7-14(4-2)8-10-15;/h7-10,13,16H,3-6,11-12,20H2,1-2H3,(H,21,23);1H
InChIKeyFPBNLMAHBYHFGG-UHFFFAOYSA-N
XLogP3.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.97
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119585465
N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119668132
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-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119605524
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 112772130
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
N-(1-aminohexan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 119666520
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
N-(1-aminohexan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119667900

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride (CID 119664891) is N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride is CCCCC(CN)NC(=O)Cc1csc(-c2ccc(CC)cc2)n1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride?
The InChIKey is FPBNLMAHBYHFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS.ClH/c1-3-5-6-16(12-20)21-18(23)11-17-13-24-19(22-17)15-9-7-14(4-2)8-10-15;/h7-10,13,16H,3-6,11-12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride has a molecular weight of 381.97 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119664891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).