4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole

C17H23N7S — CID 171334636

IUPAC4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCN(c3ncnc4nc[nH]c34)CC2)n1
InChIInChI=1S/C17H23N7S/c1-17(2,3)12-9-25-13(22-12)8-23-4-6-24(7-5-23)16-14-15(19-10-18-14)20-11-21-16/h9-11H,4-8H2,1-3H3,(H,18,19,20,21)
InChIKeyVZHQCWXGTHXPCL-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.43
Rot. Bonds3

About 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole

4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 171334636) has the molecular formula C17H23N7S and a molecular weight of 357.49 g/mol. Its IUPAC name is 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID171334636
Molecular FormulaC17H23N7S
Molecular Weight357.49 g/mol
Exact Mass357.17
IUPAC Name4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCN(c3ncnc4nc[nH]c34)CC2)n1
InChIInChI=1S/C17H23N7S/c1-17(2,3)12-9-25-13(22-12)8-23-4-6-24(7-5-23)16-14-15(19-10-18-14)20-11-21-16/h9-11H,4-8H2,1-3H3,(H,18,19,20,21)
InChIKeyVZHQCWXGTHXPCL-UHFFFAOYSA-N
XLogP2.43
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9H-Purin-6-amine, 8-(4-thiazolyl)-
CID 3007767
1-(2-(9H-purin-6-ylthio)ethyl)-1,9-dihydro-6H-purine-6-thione
CID 3246193
4-(7H-purin-8-yl)-1,3-thiazole
CID 12418007
N-Methyl-N-[2-(4-methyl-1,3-thiazol-5-YL)ethyl]-1-(9H-purin-6-YL)piperidin-4-amine
CID 72848763
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
CID 164513222
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
CID 39834553
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-7H-purin-6-amine
CID 97018966
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-7H-purin-3-ium-6-amine
CID 155289177
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-7H-purin-6-amine
CID 72119354
6-N-methyl-6-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-7H-purine-2,6-diamine
CID 75522243
2-[1-(7H-purin-6-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133402874
2-ethyl-4-[[4-[2-(trifluoromethyl)-7H-purin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 133520301

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 171334636) is 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole is CC(C)(C)c1csc(CN2CCN(c3ncnc4nc[nH]c34)CC2)n1.
What is the InChIKey of 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VZHQCWXGTHXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7S/c1-17(2,3)12-9-25-13(22-12)8-23-4-6-24(7-5-23)16-14-15(19-10-18-14)20-11-21-16/h9-11H,4-8H2,1-3H3,(H,18,19,20,21).
What are the key properties of 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole?
4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 357.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 171334636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).