N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride

C17H24ClN3OS2 — CID 119590714

IUPACN-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CSc1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C17H23N3OS2.ClH/c18-10-14(12-6-2-1-3-7-12)19-16(21)11-22-17-20-13-8-4-5-9-15(13)23-17;/h4-5,8-9,12,14H,1-3,6-7,10-11,18H2,(H,19,21);1H
InChIKeyVGZJJYXESJPYAL-UHFFFAOYSA-N
MW385.99 g/mol
LogP3.83
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride (PubChem CID 119590714) has the molecular formula C17H24ClN3OS2 and a molecular weight of 385.99 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
PubChem CID119590714
Molecular FormulaC17H24ClN3OS2
Molecular Weight385.99 g/mol
Exact Mass385.10
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CSc1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C17H23N3OS2.ClH/c18-10-14(12-6-2-1-3-7-12)19-16(21)11-22-17-20-13-8-4-5-9-15(13)23-17;/h4-5,8-9,12,14H,1-3,6-7,10-11,18H2,(H,19,21);1H
InChIKeyVGZJJYXESJPYAL-UHFFFAOYSA-N
XLogP3.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.99
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 120506197
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956958
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526058
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119574235
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 43388703
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555
N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride
CID 170897060
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98287953
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119591556
cis-(1R,3S)-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677438

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride (CID 119590714) is N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride is Cl.NCC(NC(=O)CSc1nc2ccccc2s1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride?
The InChIKey is VGZJJYXESJPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2.ClH/c18-10-14(12-6-2-1-3-7-12)19-16(21)11-22-17-20-13-8-4-5-9-15(13)23-17;/h4-5,8-9,12,14H,1-3,6-7,10-11,18H2,(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride has a molecular weight of 385.99 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 119590714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).