N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine

C13H20N4OS — CID 43611473

IUPACN-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNCc1c(N(C)C2CCOCC2)nc2sccn12
InChIInChI=1S/C13H20N4OS/c1-14-9-11-12(15-13-17(11)5-8-19-13)16(2)10-3-6-18-7-4-10/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyMRZZTGRDMVLILI-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine

N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43611473) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43611473
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNCc1c(N(C)C2CCOCC2)nc2sccn12
InChIInChI=1S/C13H20N4OS/c1-14-9-11-12(15-13-17(11)5-8-19-13)16(2)10-3-6-18-7-4-10/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyMRZZTGRDMVLILI-UHFFFAOYSA-N
XLogP1.73
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43611473) is N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine is CNCc1c(N(C)C2CCOCC2)nc2sccn12.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is MRZZTGRDMVLILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-14-9-11-12(15-13-17(11)5-8-19-13)16(2)10-3-6-18-7-4-10/h5,8,10,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 280.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43611473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).