ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole

C15H21N5S — CID 176927566

IUPACethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole
SMILESCC.Cc1nc(C(C)C)c2ncn(Cc3cscn3)c2n1
InChIInChI=1S/C13H15N5S.C2H6/c1-8(2)11-12-13(17-9(3)16-11)18(6-14-12)4-10-5-19-7-15-10;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyUZYKNZQMAJYDBA-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.79
Rot. Bonds3

About ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole

ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole (PubChem CID 176927566) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole
PubChem CID176927566
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Nameethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole
SMILESCC.Cc1nc(C(C)C)c2ncn(Cc3cscn3)c2n1
InChIInChI=1S/C13H15N5S.C2H6/c1-8(2)11-12-13(17-9(3)16-11)18(6-14-12)4-10-5-19-7-15-10;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyUZYKNZQMAJYDBA-UHFFFAOYSA-N
XLogP3.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-methyl-6-propan-2-ylpurine
CID 176927547
N,4-dimethyl-1-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572508
4-[[5-(1-chloroethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,3-thiazole
CID 79287886
6-chloro-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 114582153
1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595584
4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82700131
3-(1,3-thiazol-4-ylmethyl)-1H-imidazole-2-thione
CID 63831917
2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 63823912
4-(indol-1-ylmethyl)-1,3-thiazole
CID 22397295
4-[[2-(1-chloroethyl)-4-methylbenzimidazol-1-yl]methyl]-1,3-thiazole
CID 114041799
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
2-methyl-9-[(3-methylpyrazin-2-yl)methyl]purin-6-amine
CID 155323723

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole?
The IUPAC name of ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole (CID 176927566) is ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole.
What is the SMILES notation for ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole?
The canonical SMILES for ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole is CC.Cc1nc(C(C)C)c2ncn(Cc3cscn3)c2n1.
What is the InChIKey of ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole?
The InChIKey is UZYKNZQMAJYDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S.C2H6/c1-8(2)11-12-13(17-9(3)16-11)18(6-14-12)4-10-5-19-7-15-10;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole?
ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole has a molecular weight of 303.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2-methyl-6-propan-2-ylpurin-9-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 176927566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).