2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C20H20ClN5OS — CID 47035370

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20ClN5OS/c21-17-5-2-1-4-16(17)19-25-15(13-28-19)12-18(27)24-14-6-10-26(11-7-14)20-22-8-3-9-23-20/h1-5,8-9,13-14H,6-7,10-12H2,(H,24,27)
InChIKeyIDLOOYHWCDELBH-UHFFFAOYSA-N
MW413.93 g/mol
LogP3.58
Rot. Bonds5

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 47035370) has the molecular formula C20H20ClN5OS and a molecular weight of 413.93 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID47035370
Molecular FormulaC20H20ClN5OS
Molecular Weight413.93 g/mol
Exact Mass413.11
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20ClN5OS/c21-17-5-2-1-4-16(17)19-25-15(13-28-19)12-18(27)24-14-6-10-26(11-7-14)20-22-8-3-9-23-20/h1-5,8-9,13-14H,6-7,10-12H2,(H,24,27)
InChIKeyIDLOOYHWCDELBH-UHFFFAOYSA-N
XLogP3.58
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
CID 166231856
2-(2,6-dichlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705364
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-(4-phenylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721980
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 47035370) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is IDLOOYHWCDELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5OS/c21-17-5-2-1-4-16(17)19-25-15(13-28-19)12-18(27)24-14-6-10-26(11-7-14)20-22-8-3-9-23-20/h1-5,8-9,13-14H,6-7,10-12H2,(H,24,27).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 413.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 47035370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).