N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C16H26N4S — CID 115333820

IUPACN-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1cn2ccsc2n1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H26N4S/c1-4-17-14(16(2,3)20-7-5-6-8-20)11-13-12-19-9-10-21-15(19)18-13/h9-10,12,14,17H,4-8,11H2,1-3H3
InChIKeyWTZNSPJWTZTKHH-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.79
Rot. Bonds6

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

N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 115333820) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID115333820
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(Cc1cn2ccsc2n1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H26N4S/c1-4-17-14(16(2,3)20-7-5-6-8-20)11-13-12-19-9-10-21-15(19)18-13/h9-10,12,14,17H,4-8,11H2,1-3H3
InChIKeyWTZNSPJWTZTKHH-UHFFFAOYSA-N
XLogP2.79
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-yl)hydrazine
CID 105239505
3-(azepan-1-yl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-ol
CID 115333323
N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxypentan-2-amine
CID 116761301
2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine
CID 115333838
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-propylsulfanylpropan-2-amine
CID 113289225
3-ethoxy-1-imidazo[2,1-b][1,3]thiazol-6-yl-N,3-dimethylpentan-2-amine
CID 116758969
1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 116661937
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
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-pyridin-4-ylpropan-2-amine
CID 115333586

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 115333820) is N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CCNC(Cc1cn2ccsc2n1)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is WTZNSPJWTZTKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-4-17-14(16(2,3)20-7-5-6-8-20)11-13-12-19-9-10-21-15(19)18-13/h9-10,12,14,17H,4-8,11H2,1-3H3.
What are the key properties of N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 306.48 g/mol, XLogP of 2.79, 6 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-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 115333820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).