N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide

C14H17N7OS — CID 75479759

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCCc1nc(NC(=O)CN(C)c2ncnc3nc[nH]c23)sc1C
InChIInChI=1S/C14H17N7OS/c1-4-9-8(2)23-14(19-9)20-10(22)5-21(3)13-11-12(16-6-15-11)17-7-18-13/h6-7H,4-5H2,1-3H3,(H,19,20,22)(H,15,16,17,18)
InChIKeyKGXVDKMROHDORB-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.76
Rot. Bonds5

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 75479759) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID75479759
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCCc1nc(NC(=O)CN(C)c2ncnc3nc[nH]c23)sc1C
InChIInChI=1S/C14H17N7OS/c1-4-9-8(2)23-14(19-9)20-10(22)5-21(3)13-11-12(16-6-15-11)17-7-18-13/h6-7H,4-5H2,1-3H3,(H,19,20,22)(H,15,16,17,18)
InChIKeyKGXVDKMROHDORB-UHFFFAOYSA-N
XLogP1.76
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94658120
2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 75479562
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 47919763
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733304
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 94078674
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 75479759) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide is CCc1nc(NC(=O)CN(C)c2ncnc3nc[nH]c23)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is KGXVDKMROHDORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-4-9-8(2)23-14(19-9)20-10(22)5-21(3)13-11-12(16-6-15-11)17-7-18-13/h6-7H,4-5H2,1-3H3,(H,19,20,22)(H,15,16,17,18).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 331.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 75479759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).