N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C16H28N4S — CID 43476403

IUPACN,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCCN(CCCC)c1nc2sccn2c1CNCC
InChIInChI=1S/C16H28N4S/c1-4-7-9-19(10-8-5-2)15-14(13-17-6-3)20-11-12-21-16(20)18-15/h11-12,17H,4-10,13H2,1-3H3
InChIKeyZZKBZHHHQULQST-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.91
Rot. Bonds10

About N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine

N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43476403) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43476403
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCCCN(CCCC)c1nc2sccn2c1CNCC
InChIInChI=1S/C16H28N4S/c1-4-7-9-19(10-8-5-2)15-14(13-17-6-3)20-11-12-21-16(20)18-15/h11-12,17H,4-10,13H2,1-3H3
InChIKeyZZKBZHHHQULQST-UHFFFAOYSA-N
XLogP3.91
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 54879823
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61448953
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
N-cyclopropyl-N-ethyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476423
5-(aminomethyl)-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476275
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
N-cycloheptyl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43614274
1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950575
N-ethyl-5-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61435596
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 N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43476403) is N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CCCCN(CCCC)c1nc2sccn2c1CNCC.
What is the InChIKey of N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is ZZKBZHHHQULQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-4-7-9-19(10-8-5-2)15-14(13-17-6-3)20-11-12-21-16(20)18-15/h11-12,17H,4-10,13H2,1-3H3.
What are the key properties of N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 308.50 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43476403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).