N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C15H26N4S — CID 63058948

IUPACN-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(C)N(C)c1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C15H26N4S/c1-7-11(2)18(6)13-12(10-16-15(3,4)5)19-8-9-20-14(19)17-13/h8-9,11,16H,7,10H2,1-6H3
InChIKeyYPDBNPHWZZJIKA-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.52
Rot. Bonds5

About N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63058948) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63058948
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(C)N(C)c1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C15H26N4S/c1-7-11(2)18(6)13-12(10-16-15(3,4)5)19-8-9-20-14(19)17-13/h8-9,11,16H,7,10H2,1-6H3
InChIKeyYPDBNPHWZZJIKA-UHFFFAOYSA-N
XLogP3.52
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
5-[(tert-butylamino)methyl]-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55148570
5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63071904
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986374
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
2-methyl-N-[[6-(3-methylbutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 107761552
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
5-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785509
2-methyl-N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63070369

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 63058948) is N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CCC(C)N(C)c1nc2sccn2c1CNC(C)(C)C.
What is the InChIKey of N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is YPDBNPHWZZJIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-7-11(2)18(6)13-12(10-16-15(3,4)5)19-8-9-20-14(19)17-13/h8-9,11,16H,7,10H2,1-6H3.
What are the key properties of N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 294.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63058948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).