5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole

C9H12N2S2 — CID 90315739

IUPAC5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole
SMILESCc1nc2nc(C(C)(C)C)sc2s1
InChIInChI=1S/C9H12N2S2/c1-5-10-6-7(12-5)13-8(11-6)9(2,3)4/h1-4H3
InChIKeyRVMCTQNSPRMATN-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.36
Rot. Bonds

About 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole

5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole (PubChem CID 90315739) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole
PubChem CID90315739
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole
SMILESCc1nc2nc(C(C)(C)C)sc2s1
InChIInChI=1S/C9H12N2S2/c1-5-10-6-7(12-5)13-8(11-6)9(2,3)4/h1-4H3
InChIKeyRVMCTQNSPRMATN-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole?
The IUPAC name of 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole (CID 90315739) is 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole.
What is the SMILES notation for 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole?
The canonical SMILES for 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole is Cc1nc2nc(C(C)(C)C)sc2s1.
What is the InChIKey of 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole?
The InChIKey is RVMCTQNSPRMATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S2/c1-5-10-6-7(12-5)13-8(11-6)9(2,3)4/h1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole?
5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole has a molecular weight of 212.34 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-[1,3]thiazolo[4,5-d][1,3]thiazole is sourced from PubChem (CID 90315739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).