5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine

C13H20BrN3O2S — CID 107082047

IUPAC5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOCCN(c1nc2sccn2c1CBr)C(C)COC
InChIInChI=1S/C13H20BrN3O2S/c1-10(9-19-3)16(4-6-18-2)12-11(8-14)17-5-7-20-13(17)15-12/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyHVWNQTLWQSKIAH-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.78
Rot. Bonds8

About 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 107082047) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID107082047
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCOCCN(c1nc2sccn2c1CBr)C(C)COC
InChIInChI=1S/C13H20BrN3O2S/c1-10(9-19-3)16(4-6-18-2)12-11(8-14)17-5-7-20-13(17)15-12/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyHVWNQTLWQSKIAH-UHFFFAOYSA-N
XLogP2.78
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55236778
5-(bromomethyl)-N,N-bis(2-methylpropyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107080878
5-(bromomethyl)-N-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107081163
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(chloromethyl)-N-propan-2-yl-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476018
5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107082506
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61418301
3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
CID 107084898
3-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methylpropyl)amino]propanenitrile
CID 107082308
2-[[5-(bromomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(cyanomethyl)amino]acetonitrile
CID 107079203
5-(aminomethyl)-N-pentyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55001985
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61452321

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 107082047) is 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine is COCCN(c1nc2sccn2c1CBr)C(C)COC.
What is the InChIKey of 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HVWNQTLWQSKIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-10(9-19-3)16(4-6-18-2)12-11(8-14)17-5-7-20-13(17)15-12/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 362.29 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 107082047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).