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

C13H19N3OS — CID 43778482

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine
SMILESCc1nc2scc(C)n2c1CNC1CCOCC1
InChIInChI=1S/C13H19N3OS/c1-9-8-18-13-15-10(2)12(16(9)13)7-14-11-3-5-17-6-4-11/h8,11,14H,3-7H2,1-2H3
InChIKeyBVQMPGJRHDMAOB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.28
Rot. Bonds3

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine (PubChem CID 43778482) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine
PubChem CID43778482
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine
SMILESCc1nc2scc(C)n2c1CNC1CCOCC1
InChIInChI=1S/C13H19N3OS/c1-9-8-18-13-15-10(2)12(16(9)13)7-14-11-3-5-17-6-4-11/h8,11,14H,3-7H2,1-2H3
InChIKeyBVQMPGJRHDMAOB-UHFFFAOYSA-N
XLogP2.28
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine (CID 43778482) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine is Cc1nc2scc(C)n2c1CNC1CCOCC1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine?
The InChIKey is BVQMPGJRHDMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-8-18-13-15-10(2)12(16(9)13)7-14-11-3-5-17-6-4-11/h8,11,14H,3-7H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine has a molecular weight of 265.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]oxan-4-amine is sourced from PubChem (CID 43778482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).