1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine

C14H14N4S — CID 114456501

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C14H14N4S/c15-12-3-1-2-10-4-5-17(13(10)12)8-11-9-18-6-7-19-14(18)16-11/h1-3,6-7,9H,4-5,8,15H2
InChIKeyUKBVFYVFZAXJSE-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.54
Rot. Bonds2

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine (PubChem CID 114456501) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
PubChem CID114456501
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1cn3ccsc3n1)CC2
InChIInChI=1S/C14H14N4S/c15-12-3-1-2-10-4-5-17(13(10)12)8-11-9-18-6-7-19-14(18)16-11/h1-3,6-7,9H,4-5,8,15H2
InChIKeyUKBVFYVFZAXJSE-UHFFFAOYSA-N
XLogP2.54
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
CID 106994975
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
1-(2-aminophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 113289157
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
CID 115335454
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 115334204
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110082
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
[1-(2,3-dihydro-1H-inden-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105234349
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947068
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine (CID 114456501) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine is Nc1cccc2c1N(Cc1cn3ccsc3n1)CC2.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine?
The InChIKey is UKBVFYVFZAXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-12-3-1-2-10-4-5-17(13(10)12)8-11-9-18-6-7-19-14(18)16-11/h1-3,6-7,9H,4-5,8,15H2.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine has a molecular weight of 270.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).