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

C13H22N4S — CID 43476483

IUPACN-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCNCc1c(N(C)C(C)CC)nc2sccn12
InChIInChI=1S/C13H22N4S/c1-5-10(3)16(4)12-11(9-14-6-2)17-7-8-18-13(17)15-12/h7-8,10,14H,5-6,9H2,1-4H3
InChIKeyFIUBXMVODRONIH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.74
Rot. Bonds6

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

N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43476483) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43476483
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCNCc1c(N(C)C(C)CC)nc2sccn12
InChIInChI=1S/C13H22N4S/c1-5-10(3)16(4)12-11(9-14-6-2)17-7-8-18-13(17)15-12/h7-8,10,14H,5-6,9H2,1-4H3
InChIKeyFIUBXMVODRONIH-UHFFFAOYSA-N
XLogP2.74
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63058948
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986374
N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43570377
N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43614274
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 54879823
1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950575
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61448953

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 43476483) is N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CCNCc1c(N(C)C(C)CC)nc2sccn12.
What is the InChIKey of N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is FIUBXMVODRONIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-5-10(3)16(4)12-11(9-14-6-2)17-7-8-18-13(17)15-12/h7-8,10,14H,5-6,9H2,1-4H3.
What are the key properties of N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 266.41 g/mol, XLogP of 2.74, 6 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-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43476483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).