2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride

C18H26Cl2N4OS — CID 120669325

IUPAC2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1.Cl.Cl
InChIInChI=1S/C18H24N4OS.2ClH/c1-13-5-7-14(8-6-13)16(19)17(23)21-18-20-15(12-24-18)11-22-9-3-2-4-10-22;;/h5-8,12,16H,2-4,9-11,19H2,1H3,(H,20,21,23);2*1H
InChIKeyLMBLKCPHKOKOAY-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.92
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride (PubChem CID 120669325) has the molecular formula C18H26Cl2N4OS and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
PubChem CID120669325
Molecular FormulaC18H26Cl2N4OS
Molecular Weight417.41 g/mol
Exact Mass416.12
IUPAC Name2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1.Cl.Cl
InChIInChI=1S/C18H24N4OS.2ClH/c1-13-5-7-14(8-6-13)16(19)17(23)21-18-20-15(12-24-18)11-22-9-3-2-4-10-22;;/h5-8,12,16H,2-4,9-11,19H2,1H3,(H,20,21,23);2*1H
InChIKeyLMBLKCPHKOKOAY-UHFFFAOYSA-N
XLogP3.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
(3S)-1-(4-methylphenyl)-5-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 30135085
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamate
CID 55943253
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 86799147
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 36847924
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 120606542
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride (CID 120669325) is 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)Nc2nc(CN3CCCCC3)cs2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The InChIKey is LMBLKCPHKOKOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.2ClH/c1-13-5-7-14(8-6-13)16(19)17(23)21-18-20-15(12-24-18)11-22-9-3-2-4-10-22;;/h5-8,12,16H,2-4,9-11,19H2,1H3,(H,20,21,23);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride has a molecular weight of 417.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120669325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).