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

C18H25Cl2N3OS — CID 120574533

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride
SMILESCc1cccc(-c2nc(CC(=O)NC3CCCNC3C)cs2)c1.Cl.Cl
InChIInChI=1S/C18H23N3OS.2ClH/c1-12-5-3-6-14(9-12)18-20-15(11-23-18)10-17(22)21-16-7-4-8-19-13(16)2;;/h3,5-6,9,11,13,16,19H,4,7-8,10H2,1-2H3,(H,21,22);2*1H
InChIKeyDOEXXMQFDUVXIC-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.76
Rot. Bonds4

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

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride (PubChem CID 120574533) has the molecular formula C18H25Cl2N3OS and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride
PubChem CID120574533
Molecular FormulaC18H25Cl2N3OS
Molecular Weight402.39 g/mol
Exact Mass401.11
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride
SMILESCc1cccc(-c2nc(CC(=O)NC3CCCNC3C)cs2)c1.Cl.Cl
InChIInChI=1S/C18H23N3OS.2ClH/c1-12-5-3-6-14(9-12)18-20-15(11-23-18)10-17(22)21-16-7-4-8-19-13(16)2;;/h3,5-6,9,11,13,16,19H,4,7-8,10H2,1-2H3,(H,21,22);2*1H
InChIKeyDOEXXMQFDUVXIC-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120573914
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119464312
N-[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 97308491
N-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 100909648
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223807
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120599425
N-(2-methylpiperidin-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120573891
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride (CID 120574533) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride is Cc1cccc(-c2nc(CC(=O)NC3CCCNC3C)cs2)c1.Cl.Cl.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride?
The InChIKey is DOEXXMQFDUVXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.2ClH/c1-12-5-3-6-14(9-12)18-20-15(11-23-18)10-17(22)21-16-7-4-8-19-13(16)2;;/h3,5-6,9,11,13,16,19H,4,7-8,10H2,1-2H3,(H,21,22);2*1H.
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride?
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride has a molecular weight of 402.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).