4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole

C20H26N8S2 — CID 68936225

IUPAC4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(c3ccnc(N4CCN(c5nc(C)cs5)CC4)n3)CC2)n1
InChIInChI=1S/C20H26N8S2/c1-15-13-29-19(22-15)27-9-5-25(6-10-27)17-3-4-21-18(24-17)26-7-11-28(12-8-26)20-23-16(2)14-30-20/h3-4,13-14H,5-12H2,1-2H3
InChIKeyMOVYHSRIIWNJJQ-UHFFFAOYSA-N
MW442.62 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole

4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 68936225) has the molecular formula C20H26N8S2 and a molecular weight of 442.62 g/mol. Its IUPAC name is 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID68936225
Molecular FormulaC20H26N8S2
Molecular Weight442.62 g/mol
Exact Mass442.17
IUPAC Name4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(c3ccnc(N4CCN(c5nc(C)cs5)CC4)n3)CC2)n1
InChIInChI=1S/C20H26N8S2/c1-15-13-29-19(22-15)27-9-5-25(6-10-27)17-3-4-21-18(24-17)26-7-11-28(12-8-26)20-23-16(2)14-30-20/h3-4,13-14H,5-12H2,1-2H3
InChIKeyMOVYHSRIIWNJJQ-UHFFFAOYSA-N
XLogP2.66
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole (CID 68936225) is 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(c3ccnc(N4CCN(c5nc(C)cs5)CC4)n3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is MOVYHSRIIWNJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8S2/c1-15-13-29-19(22-15)27-9-5-25(6-10-27)17-3-4-21-18(24-17)26-7-11-28(12-8-26)20-23-16(2)14-30-20/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 442.62 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 68936225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).