N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine

C13H21N3S2 — CID 113289225

IUPACN-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1cn2ccsc2n1)NCC
InChIInChI=1S/C13H21N3S2/c1-3-6-17-10-12(14-4-2)8-11-9-16-5-7-18-13(16)15-11/h5,7,9,12,14H,3-4,6,8,10H2,1-2H3
InChIKeyBXRUAQKCGZHHRO-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.06
Rot. Bonds8

About N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine

N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine (PubChem CID 113289225) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine
PubChem CID113289225
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC NameN-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1cn2ccsc2n1)NCC
InChIInChI=1S/C13H21N3S2/c1-3-6-17-10-12(14-4-2)8-11-9-16-5-7-18-13(16)15-11/h5,7,9,12,14H,3-4,6,8,10H2,1-2H3
InChIKeyBXRUAQKCGZHHRO-UHFFFAOYSA-N
XLogP3.06
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
1-cyclopropyl-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 113289267
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-pyridin-4-ylpropan-2-amine
CID 115333586
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461
1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 116661937
[1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226696
N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxypentan-2-amine
CID 116761301
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
CID 105023665
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 115333820
(1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propoxypropan-2-yl)hydrazine
CID 105209912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine?
The IUPAC name of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine (CID 113289225) is N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine is CCCSCC(Cc1cn2ccsc2n1)NCC.
What is the InChIKey of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine?
The InChIKey is BXRUAQKCGZHHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-3-6-17-10-12(14-4-2)8-11-9-16-5-7-18-13(16)15-11/h5,7,9,12,14H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine?
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine has a molecular weight of 283.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 113289225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).