2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide

C13H21N5OS — CID 63059665

IUPAC2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
SMILESCC(C)CNCc1c(N(C)CC(N)=O)nc2sccn12
InChIInChI=1S/C13H21N5OS/c1-9(2)6-15-7-10-12(17(3)8-11(14)19)16-13-18(10)4-5-20-13/h4-5,9,15H,6-8H2,1-3H3,(H2,14,19)
InChIKeyLFXUYVCSEASVRT-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.06
Rot. Bonds7

About 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide

2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide (PubChem CID 63059665) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
PubChem CID63059665
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
SMILESCC(C)CNCc1c(N(C)CC(N)=O)nc2sccn12
InChIInChI=1S/C13H21N5OS/c1-9(2)6-15-7-10-12(17(3)8-11(14)19)16-13-18(10)4-5-20-13/h4-5,9,15H,6-8H2,1-3H3,(H2,14,19)
InChIKeyLFXUYVCSEASVRT-UHFFFAOYSA-N
XLogP1.06
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide (CID 63059665) is 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide is CC(C)CNCc1c(N(C)CC(N)=O)nc2sccn12.
What is the InChIKey of 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
The InChIKey is LFXUYVCSEASVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-9(2)6-15-7-10-12(17(3)8-11(14)19)16-13-18(10)4-5-20-13/h4-5,9,15H,6-8H2,1-3H3,(H2,14,19).
What are the key properties of 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide?
2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide is sourced from PubChem (CID 63059665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).