(6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine

C11H17N3S — CID 39196778

IUPAC(6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
SMILESCc1csc2nc(C(C)(C)C)c(CN)n12
InChIInChI=1S/C11H17N3S/c1-7-6-15-10-13-9(11(2,3)4)8(5-12)14(7)10/h6H,5,12H2,1-4H3
InChIKeyIMIXXFAVTRHTBL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.46
Rot. Bonds1

About (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine

(6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine (PubChem CID 39196778) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
PubChem CID39196778
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name(6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
SMILESCc1csc2nc(C(C)(C)C)c(CN)n12
InChIInChI=1S/C11H17N3S/c1-7-6-15-10-13-9(11(2,3)4)8(5-12)14(7)10/h6H,5,12H2,1-4H3
InChIKeyIMIXXFAVTRHTBL-UHFFFAOYSA-N
XLogP2.46
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
The IUPAC name of (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine (CID 39196778) is (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine.
What is the SMILES notation for (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
The canonical SMILES for (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine is Cc1csc2nc(C(C)(C)C)c(CN)n12.
What is the InChIKey of (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
The InChIKey is IMIXXFAVTRHTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7-6-15-10-13-9(11(2,3)4)8(5-12)14(7)10/h6H,5,12H2,1-4H3.
What are the key properties of (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine?
(6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine has a molecular weight of 223.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine is sourced from PubChem (CID 39196778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).