7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine

C21H25N5S — CID 1462034

IUPAC7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESc1ccc(-c2nsc3c(N4CCN(C5CCCCC5)CC4)ncnc23)cc1
InChIInChI=1S/C21H25N5S/c1-3-7-16(8-4-1)18-19-20(27-24-18)21(23-15-22-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2
InChIKeyMIXARSCUGJRRSX-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.21
Rot. Bonds3

About 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine

7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 1462034) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID1462034
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESc1ccc(-c2nsc3c(N4CCN(C5CCCCC5)CC4)ncnc23)cc1
InChIInChI=1S/C21H25N5S/c1-3-7-16(8-4-1)18-19-20(27-24-18)21(23-15-22-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2
InChIKeyMIXARSCUGJRRSX-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine (CID 1462034) is 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine is c1ccc(-c2nsc3c(N4CCN(C5CCCCC5)CC4)ncnc23)cc1.
What is the InChIKey of 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is MIXARSCUGJRRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-3-7-16(8-4-1)18-19-20(27-24-18)21(23-15-22-19)26-13-11-25(12-14-26)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2.
What are the key properties of 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine?
7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 379.53 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclohexylpiperazin-1-yl)-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 1462034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).