4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine

C12H13N3S — CID 62082202

IUPAC4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine
SMILESCN1CCc2cc(-c3ncsc3N)ccc21
InChIInChI=1S/C12H13N3S/c1-15-5-4-8-6-9(2-3-10(8)15)11-12(13)16-7-14-11/h2-3,6-7H,4-5,13H2,1H3
InChIKeyACAHSDGCGUZTGG-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.38
Rot. Bonds1

About 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine

4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine (PubChem CID 62082202) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine
PubChem CID62082202
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine
SMILESCN1CCc2cc(-c3ncsc3N)ccc21
InChIInChI=1S/C12H13N3S/c1-15-5-4-8-6-9(2-3-10(8)15)11-12(13)16-7-14-11/h2-3,6-7H,4-5,13H2,1H3
InChIKeyACAHSDGCGUZTGG-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine (CID 62082202) is 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine is CN1CCc2cc(-c3ncsc3N)ccc21.
What is the InChIKey of 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine?
The InChIKey is ACAHSDGCGUZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-15-5-4-8-6-9(2-3-10(8)15)11-12(13)16-7-14-11/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine?
4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62082202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).