5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C18H23N7S — CID 163344591

IUPAC5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)s1
InChIInChI=1S/C18H23N7S/c1-12-15(26-13(2)22-12)9-23-5-7-24(8-6-23)17-16-18(20-10-19-17)25(11-21-16)14-3-4-14/h10-11,14H,3-9H2,1-2H3
InChIKeyJFRXHPSLDDONLW-UHFFFAOYSA-N
MW369.50 g/mol
LogP2.56
Rot. Bonds4

About 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 163344591) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID163344591
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)s1
InChIInChI=1S/C18H23N7S/c1-12-15(26-13(2)22-12)9-23-5-7-24(8-6-23)17-16-18(20-10-19-17)25(11-21-16)14-3-4-14/h10-11,14H,3-9H2,1-2H3
InChIKeyJFRXHPSLDDONLW-UHFFFAOYSA-N
XLogP2.56
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole with MolForge

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Related Compounds

5-[[5-(9-ethylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344571
9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
2,4-dimethyl-5-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 155975428
9-cyclopropyl-6-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]purine
CID 163344644
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 136544627
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 155980603
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155980578
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
CID 172882518

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 163344591) is 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCN(c3ncnc4c3ncn4C3CC3)CC2)s1.
What is the InChIKey of 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is JFRXHPSLDDONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-12-15(26-13(2)22-12)9-23-5-7-24(8-6-23)17-16-18(20-10-19-17)25(11-21-16)14-3-4-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 369.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 163344591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).