N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

C21H26ClN3O2S — CID 71841935

IUPACN-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H26ClN3O2S/c1-14(2)19(26)23-10-7-18-13-28-20(24-18)15-8-11-25(12-9-15)21(27)16-3-5-17(22)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)
InChIKeySZNZWAANAKMVSF-UHFFFAOYSA-N
MW419.98 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (PubChem CID 71841935) has the molecular formula C21H26ClN3O2S and a molecular weight of 419.98 g/mol. Its IUPAC name is N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
PubChem CID71841935
Molecular FormulaC21H26ClN3O2S
Molecular Weight419.98 g/mol
Exact Mass419.14
IUPAC NameN-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H26ClN3O2S/c1-14(2)19(26)23-10-7-18-13-28-20(24-18)15-8-11-25(12-9-15)21(27)16-3-5-17(22)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)
InChIKeySZNZWAANAKMVSF-UHFFFAOYSA-N
XLogP4.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (CID 71841935) is N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is SZNZWAANAKMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2S/c1-14(2)19(26)23-10-7-18-13-28-20(24-18)15-8-11-25(12-9-15)21(27)16-3-5-17(22)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 419.98 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 71841935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).