2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

C14H17N7OS — CID 75479562

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN(C)c2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C14H17N7OS/c1-9-20-10(6-23-9)3-4-15-11(22)5-21(2)14-12-13(17-7-16-12)18-8-19-14/h6-8H,3-5H2,1-2H3,(H,15,22)(H,16,17,18,19)
InChIKeyUWMKJQIDMCLVCK-UHFFFAOYSA-N
MW331.41 g/mol
LogP0.91
Rot. Bonds6

About 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 75479562) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID75479562
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN(C)c2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C14H17N7OS/c1-9-20-10(6-23-9)3-4-15-11(22)5-21(2)14-12-13(17-7-16-12)18-8-19-14/h6-8H,3-5H2,1-2H3,(H,15,22)(H,16,17,18,19)
InChIKeyUWMKJQIDMCLVCK-UHFFFAOYSA-N
XLogP0.91
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 47919763
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479759
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 166409827
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
N-(3-cyclohexyloxypropyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51077841
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 106032478
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646818

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 75479562) is 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CN(C)c2ncnc3nc[nH]c23)cs1.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is UWMKJQIDMCLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-9-20-10(6-23-9)3-4-15-11(22)5-21(2)14-12-13(17-7-16-12)18-8-19-14/h6-8H,3-5H2,1-2H3,(H,15,22)(H,16,17,18,19).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 331.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 75479562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).