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

C15H19N7OS — CID 47919763

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCCc1nc(CN(C)C(=O)CN(C)c2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C15H19N7OS/c1-4-11-20-10(7-24-11)5-21(2)12(23)6-22(3)15-13-14(17-8-16-13)18-9-19-15/h7-9H,4-6H2,1-3H3,(H,16,17,18,19)
InChIKeyZBLGWAYRGOJMOJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.47
Rot. Bonds6

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 47919763) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID47919763
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCCc1nc(CN(C)C(=O)CN(C)c2ncnc3nc[nH]c23)cs1
InChIInChI=1S/C15H19N7OS/c1-4-11-20-10(7-24-11)5-21(2)12(23)6-22(3)15-13-14(17-8-16-13)18-9-19-15/h7-9H,4-6H2,1-3H3,(H,16,17,18,19)
InChIKeyZBLGWAYRGOJMOJ-UHFFFAOYSA-N
XLogP1.47
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N-(furan-2-ylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75466744
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479909
2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 75479562
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479759
2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
CID 119826160
N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51089042
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
N-methyl-2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97313750
1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97318615
1-(3-ethoxypiperidin-1-yl)-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 47911056
N-(1-aminohexan-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide;dihydrochloride
CID 119668576

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 47919763) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide is CCc1nc(CN(C)C(=O)CN(C)c2ncnc3nc[nH]c23)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is ZBLGWAYRGOJMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-4-11-20-10(7-24-11)5-21(2)12(23)6-22(3)15-13-14(17-8-16-13)18-9-19-15/h7-9H,4-6H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 345.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 47919763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).