N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride

C17H23Cl2N3OS — CID 119554455

IUPACN-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCc1cccc(-c2nc(CC(=O)N(C)C3CCNC3)cs2)c1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-12-4-3-5-13(8-12)17-19-14(11-22-17)9-16(21)20(2)15-6-7-18-10-15;;/h3-5,8,11,15,18H,6-7,9-10H2,1-2H3;2*1H
InChIKeyXZSFLWHWMMXJJH-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.32
Rot. Bonds4

About N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride

N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119554455) has the molecular formula C17H23Cl2N3OS and a molecular weight of 388.36 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119554455
Molecular FormulaC17H23Cl2N3OS
Molecular Weight388.36 g/mol
Exact Mass387.09
IUPAC NameN-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCc1cccc(-c2nc(CC(=O)N(C)C3CCNC3)cs2)c1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-12-4-3-5-13(8-12)17-19-14(11-22-17)9-16(21)20(2)15-6-7-18-10-15;;/h3-5,8,11,15,18H,6-7,9-10H2,1-2H3;2*1H
InChIKeyXZSFLWHWMMXJJH-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441255
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553361
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119464312
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119554477
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119442266

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119554455) is N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride is Cc1cccc(-c2nc(CC(=O)N(C)C3CCNC3)cs2)c1.Cl.Cl.
What is the InChIKey of N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is XZSFLWHWMMXJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.2ClH/c1-12-4-3-5-13(8-12)17-19-14(11-22-17)9-16(21)20(2)15-6-7-18-10-15;;/h3-5,8,11,15,18H,6-7,9-10H2,1-2H3;2*1H.
What are the key properties of N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride?
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 388.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119554455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).