1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C16H17N3OS — CID 105174033

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)C1OCCc2ccccc21
InChIInChI=1S/C16H17N3OS/c17-14(9-12-10-19-6-8-21-16(19)18-12)15-13-4-2-1-3-11(13)5-7-20-15/h1-4,6,8,10,14-15H,5,7,9,17H2
InChIKeyBMCIDXHHKXPXEU-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.58
Rot. Bonds3

About 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 105174033) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID105174033
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)C1OCCc2ccccc21
InChIInChI=1S/C16H17N3OS/c17-14(9-12-10-19-6-8-21-16(19)18-12)15-13-4-2-1-3-11(13)5-7-20-15/h1-4,6,8,10,14-15H,5,7,9,17H2
InChIKeyBMCIDXHHKXPXEU-UHFFFAOYSA-N
XLogP2.58
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,3-dihydro-1H-inden-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105234349
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105085210
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-2-yl)propan-2-amine
CID 115333411
6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289291
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105328740
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109438
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127935

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 105174033) is 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is NC(Cc1cn2ccsc2n1)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is BMCIDXHHKXPXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-14(9-12-10-19-6-8-21-16(19)18-12)15-13-4-2-1-3-11(13)5-7-20-15/h1-4,6,8,10,14-15H,5,7,9,17H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 299.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 105174033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).