2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H24N4OS — CID 110386803

IUPAC2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C18H24N4OS/c1-21(2)12-18-20-15(13-24-18)11-17(23)19-14-5-7-16(8-6-14)22-9-3-4-10-22/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,23)
InChIKeyAOVLYKNQOYSTMB-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.99
Rot. Bonds6

About 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110386803) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110386803
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C18H24N4OS/c1-21(2)12-18-20-15(13-24-18)11-17(23)19-14-5-7-16(8-6-14)22-9-3-4-10-22/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,23)
InChIKeyAOVLYKNQOYSTMB-UHFFFAOYSA-N
XLogP2.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110386804
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386812
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386789
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16590997
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46453077
3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110388522
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 51213356
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110386803) is 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CN(C)Cc1nc(CC(=O)Nc2ccc(N3CCCC3)cc2)cs1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is AOVLYKNQOYSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-21(2)12-18-20-15(13-24-18)11-17(23)19-14-5-7-16(8-6-14)22-9-3-4-10-22/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,23).
What are the key properties of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110386803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).