6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine

C18H20N6S2 — CID 130267327

IUPAC6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine
SMILESCC(C)(C)c1nc2cc(CC(C)(C)c3nc4cncnc4s3)nnc2s1
InChIInChI=1S/C18H20N6S2/c1-17(2,3)15-21-11-6-10(23-24-14(11)26-15)7-18(4,5)16-22-12-8-19-9-20-13(12)25-16/h6,8-9H,7H2,1-5H3
InChIKeyXOVQZKHGRDQIKY-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.30
Rot. Bonds3

About 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine

6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine (PubChem CID 130267327) has the molecular formula C18H20N6S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine
PubChem CID130267327
Molecular FormulaC18H20N6S2
Molecular Weight384.53 g/mol
Exact Mass384.12
IUPAC Name6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine
SMILESCC(C)(C)c1nc2cc(CC(C)(C)c3nc4cncnc4s3)nnc2s1
InChIInChI=1S/C18H20N6S2/c1-17(2,3)15-21-11-6-10(23-24-14(11)26-15)7-18(4,5)16-22-12-8-19-9-20-13(12)25-16/h6,8-9H,7H2,1-5H3
InChIKeyXOVQZKHGRDQIKY-UHFFFAOYSA-N
XLogP4.30
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine?
The IUPAC name of 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine (CID 130267327) is 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine.
What is the SMILES notation for 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine?
The canonical SMILES for 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine is CC(C)(C)c1nc2cc(CC(C)(C)c3nc4cncnc4s3)nnc2s1.
What is the InChIKey of 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine?
The InChIKey is XOVQZKHGRDQIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S2/c1-17(2,3)15-21-11-6-10(23-24-14(11)26-15)7-18(4,5)16-22-12-8-19-9-20-13(12)25-16/h6,8-9H,7H2,1-5H3.
What are the key properties of 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine?
6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine has a molecular weight of 384.53 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine is sourced from PubChem (CID 130267327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).