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

C12H18N4OS — CID 43611472

IUPAC5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(c1nc2sccn2c1CN)C1CCOCC1
InChIInChI=1S/C12H18N4OS/c1-15(9-2-5-17-6-3-9)11-10(8-13)16-4-7-18-12(16)14-11/h4,7,9H,2-3,5-6,8,13H2,1H3
InChIKeyIUNDQEGPDXZJRV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.47
Rot. Bonds3

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

5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43611472) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43611472
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(c1nc2sccn2c1CN)C1CCOCC1
InChIInChI=1S/C12H18N4OS/c1-15(9-2-5-17-6-3-9)11-10(8-13)16-4-7-18-12(16)14-11/h4,7,9H,2-3,5-6,8,13H2,1H3
InChIKeyIUNDQEGPDXZJRV-UHFFFAOYSA-N
XLogP1.47
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43611473
3-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 43611478
5-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785538
5-(2-aminoethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63787524
N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43614274
5-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 60892756
5-(aminomethyl)-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476275
2-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]ethanol
CID 54995108
5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43564433
3-[[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-propan-2-ylamino]propan-1-ol
CID 54994539
5-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43528430
5-(aminomethyl)-N-pentyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55001985

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43611472) is 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine is CN(c1nc2sccn2c1CN)C1CCOCC1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is IUNDQEGPDXZJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-15(9-2-5-17-6-3-9)11-10(8-13)16-4-7-18-12(16)14-11/h4,7,9H,2-3,5-6,8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 266.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(oxan-4-yl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43611472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).