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

C18H22ClN3OS — CID 39081132

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-21-9-7-16(8-10-21)22(2)17(23)11-15-12-24-18(20-15)13-3-5-14(19)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyJSVHXWRKRMOODC-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.56
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 39081132) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID39081132
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-21-9-7-16(8-10-21)22(2)17(23)11-15-12-24-18(20-15)13-3-5-14(19)6-4-13/h3-6,12,16H,7-11H2,1-2H3
InChIKeyJSVHXWRKRMOODC-UHFFFAOYSA-N
XLogP3.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39080906
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 82547581
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553361
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119206740
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 38041240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 39081132) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is JSVHXWRKRMOODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-21-9-7-16(8-10-21)22(2)17(23)11-15-12-24-18(20-15)13-3-5-14(19)6-4-13/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 363.91 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 39081132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).