N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide

C20H21N7OS — CID 174618555

IUPACN-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
SMILESCCN(CC)c1ccc(-c2csc(NC(=O)Cn3cnc4ncncc43)n2)cc1
InChIInChI=1S/C20H21N7OS/c1-3-26(4-2)15-7-5-14(6-8-15)16-11-29-20(24-16)25-18(28)10-27-13-23-19-17(27)9-21-12-22-19/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25,28)
InChIKeyNXWNRTVMNJXOLZ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide

N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide (PubChem CID 174618555) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide.

Molecular Properties

Compound NameN-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
PubChem CID174618555
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
SMILESCCN(CC)c1ccc(-c2csc(NC(=O)Cn3cnc4ncncc43)n2)cc1
InChIInChI=1S/C20H21N7OS/c1-3-26(4-2)15-7-5-14(6-8-15)16-11-29-20(24-16)25-18(28)10-27-13-23-19-17(27)9-21-12-22-19/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25,28)
InChIKeyNXWNRTVMNJXOLZ-UHFFFAOYSA-N
XLogP3.43
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-purin-7-ylacetamide
CID 174603379
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19641735
N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetamide
CID 87138615
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41189976
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4646217
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide
CID 134544863
2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19641848
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 87424099
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32936666

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
The IUPAC name of N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide (CID 174618555) is N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide.
What is the SMILES notation for N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
The canonical SMILES for N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide is CCN(CC)c1ccc(-c2csc(NC(=O)Cn3cnc4ncncc43)n2)cc1.
What is the InChIKey of N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
The InChIKey is NXWNRTVMNJXOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-3-26(4-2)15-7-5-14(6-8-15)16-11-29-20(24-16)25-18(28)10-27-13-23-19-17(27)9-21-12-22-19/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25,28).
What are the key properties of N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide?
N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide has a molecular weight of 407.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-purin-7-ylacetamide is sourced from PubChem (CID 174618555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).