N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

C14H24N4S — CID 43476481

IUPACN-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(C)N(C)c1nc2sccn2c1CNC(C)C
InChIInChI=1S/C14H24N4S/c1-6-11(4)17(5)13-12(9-15-10(2)3)18-7-8-19-14(18)16-13/h7-8,10-11,15H,6,9H2,1-5H3
InChIKeyIXFGLKOOBGICND-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.13
Rot. Bonds6

About N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine

N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43476481) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43476481
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCC(C)N(C)c1nc2sccn2c1CNC(C)C
InChIInChI=1S/C14H24N4S/c1-6-11(4)17(5)13-12(9-15-10(2)3)18-7-8-19-14(18)16-13/h7-8,10-11,15H,6,9H2,1-5H3
InChIKeyIXFGLKOOBGICND-UHFFFAOYSA-N
XLogP3.13
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63058948
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol
CID 79379203
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
N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43570377
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
N-[(6-pyrazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43476542
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine (CID 43476481) is N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is CCC(C)N(C)c1nc2sccn2c1CNC(C)C.
What is the InChIKey of N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is IXFGLKOOBGICND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-6-11(4)17(5)13-12(9-15-10(2)3)18-7-8-19-14(18)16-13/h7-8,10-11,15H,6,9H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine?
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 280.44 g/mol, XLogP of 3.13, 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-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43476481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).