2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine

C16H28N4S — CID 115333838

IUPAC2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cn2ccsc2n1)C(CC)(CC)N(C)C
InChIInChI=1S/C16H28N4S/c1-6-16(7-2,19(4)5)14(17-8-3)11-13-12-20-9-10-21-15(20)18-13/h9-10,12,14,17H,6-8,11H2,1-5H3
InChIKeyZGGNQBZGVNQQNO-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.04
Rot. Bonds8

About 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine

2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 115333838) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID115333838
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCNC(Cc1cn2ccsc2n1)C(CC)(CC)N(C)C
InChIInChI=1S/C16H28N4S/c1-6-16(7-2,19(4)5)14(17-8-3)11-13-12-20-9-10-21-15(20)18-13/h9-10,12,14,17H,6-8,11H2,1-5H3
InChIKeyZGGNQBZGVNQQNO-UHFFFAOYSA-N
XLogP3.04
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxypentan-2-amine
CID 116761301
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 115333820
3-ethoxy-1-imidazo[2,1-b][1,3]thiazol-6-yl-N,3-dimethylpentan-2-amine
CID 116758969
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
1-cyclopropyl-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 113289267
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105174090
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine
CID 113289225
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-pyridin-4-ylpropan-2-amine
CID 115333586
3-imidazo[2,1-b][1,3]thiazol-6-yl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 115333859
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-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461

Frequently Asked Questions

What is the IUPAC name of 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine (CID 115333838) is 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine is CCNC(Cc1cn2ccsc2n1)C(CC)(CC)N(C)C.
What is the InChIKey of 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is ZGGNQBZGVNQQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-6-16(7-2,19(4)5)14(17-8-3)11-13-12-20-9-10-21-15(20)18-13/h9-10,12,14,17H,6-8,11H2,1-5H3.
What are the key properties of 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine?
2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 308.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 115333838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).