1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

C16H23N3S — CID 116661937

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1cn2ccsc2n1
InChIInChI=1S/C16H23N3S/c1-2-17-14(10-13-6-4-3-5-7-13)11-15-12-19-8-9-20-16(19)18-15/h6,8-9,12,14,17H,2-5,7,10-11H2,1H3
InChIKeyWFLRSVXEISYRBC-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.81
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (PubChem CID 116661937) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
PubChem CID116661937
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESCCNC(CC1=CCCCC1)Cc1cn2ccsc2n1
InChIInChI=1S/C16H23N3S/c1-2-17-14(10-13-6-4-3-5-7-13)11-15-12-19-8-9-20-16(19)18-15/h6,8-9,12,14,17H,2-5,7,10-11H2,1H3
InChIKeyWFLRSVXEISYRBC-UHFFFAOYSA-N
XLogP3.81
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461
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
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-pyridin-4-ylpropan-2-amine
CID 115333586
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 115333820
4-cyclopentyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-propylbutan-2-amine
CID 105023529
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
CID 115334174
N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxypentan-2-amine
CID 116761301
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
CID 105023630
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
2-N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-N,3-N-dimethylpentane-2,3-diamine
CID 115333838

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (CID 116661937) is 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is CCNC(CC1=CCCCC1)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The InChIKey is WFLRSVXEISYRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-17-14(10-13-6-4-3-5-7-13)11-15-12-19-8-9-20-16(19)18-15/h6,8-9,12,14,17H,2-5,7,10-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is sourced from PubChem (CID 116661937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).