N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C19H24N2O2S — CID 71917223

IUPACN-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cs1
InChIInChI=1S/C19H24N2O2S/c1-15-20-17(13-24-15)11-18(22)21(12-16-7-3-2-4-8-16)14-19(23)9-5-6-10-19/h2-4,7-8,13,23H,5-6,9-12,14H2,1H3
InChIKeyARWQCCDLQLTBLL-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.33
Rot. Bonds6

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

N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 71917223) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID71917223
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cs1
InChIInChI=1S/C19H24N2O2S/c1-15-20-17(13-24-15)11-18(22)21(12-16-7-3-2-4-8-16)14-19(23)9-5-6-10-19/h2-4,7-8,13,23H,5-6,9-12,14H2,1H3
InChIKeyARWQCCDLQLTBLL-UHFFFAOYSA-N
XLogP3.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 71917223) is N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(Cc2ccccc2)CC2(O)CCCC2)cs1.
What is the InChIKey of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ARWQCCDLQLTBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-20-17(13-24-15)11-18(22)21(12-16-7-3-2-4-8-16)14-19(23)9-5-6-10-19/h2-4,7-8,13,23H,5-6,9-12,14H2,1H3.
What are the key properties of N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71917223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).