2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol

C12H19N3OS2 — CID 63809975

IUPAC2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
SMILESCC(C)(C)NCc1c(SCCO)nc2sccn12
InChIInChI=1S/C12H19N3OS2/c1-12(2,3)13-8-9-10(17-7-5-16)14-11-15(9)4-6-18-11/h4,6,13,16H,5,7-8H2,1-3H3
InChIKeySXYIXIGWGWOZMK-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.37
Rot. Bonds5

About 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol

2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol (PubChem CID 63809975) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
PubChem CID63809975
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
SMILESCC(C)(C)NCc1c(SCCO)nc2sccn12
InChIInChI=1S/C12H19N3OS2/c1-12(2,3)13-8-9-10(17-7-5-16)14-11-15(9)4-6-18-11/h4,6,13,16H,5,7-8H2,1-3H3
InChIKeySXYIXIGWGWOZMK-UHFFFAOYSA-N
XLogP2.37
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol?
The IUPAC name of 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol (CID 63809975) is 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol.
What is the SMILES notation for 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol?
The canonical SMILES for 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol is CC(C)(C)NCc1c(SCCO)nc2sccn12.
What is the InChIKey of 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol?
The InChIKey is SXYIXIGWGWOZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-12(2,3)13-8-9-10(17-7-5-16)14-11-15(9)4-6-18-11/h4,6,13,16H,5,7-8H2,1-3H3.
What are the key properties of 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol?
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol has a molecular weight of 285.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol is sourced from PubChem (CID 63809975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).