2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide

C19H24ClN3OS — CID 46981953

IUPAC2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCCC1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H24ClN3OS/c1-22(10-11-23-8-3-2-4-9-23)18(24)13-17-14-25-19(21-17)15-6-5-7-16(20)12-15/h5-7,12,14H,2-4,8-11,13H2,1H3
InChIKeyLMGPJSRCHCNQRU-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.95
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 46981953) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID46981953
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCCC1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H24ClN3OS/c1-22(10-11-23-8-3-2-4-9-23)18(24)13-17-14-25-19(21-17)15-6-5-7-16(20)12-15/h5-7,12,14H,2-4,8-11,13H2,1H3
InChIKeyLMGPJSRCHCNQRU-UHFFFAOYSA-N
XLogP3.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
N-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162672065
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119657415
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 39081132
N-(3-amino-2,2-dimethylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119656281
3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide (CID 46981953) is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide is CN(CCN1CCCCC1)C(=O)Cc1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is LMGPJSRCHCNQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-22(10-11-23-8-3-2-4-9-23)18(24)13-17-14-25-19(21-17)15-6-5-7-16(20)12-15/h5-7,12,14H,2-4,8-11,13H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide?
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 377.94 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 46981953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).