1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C17H23N3S — CID 83209888

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1nc(C(C)(C)C)cs1)CC2
InChIInChI=1S/C17H23N3S/c1-11-7-12-5-6-20(14(12)8-13(11)18)9-16-19-15(10-21-16)17(2,3)4/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyVYJAJSUCTKXDEO-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.89
Rot. Bonds2

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83209888) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83209888
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1nc(C(C)(C)C)cs1)CC2
InChIInChI=1S/C17H23N3S/c1-11-7-12-5-6-20(14(12)8-13(11)18)9-16-19-15(10-21-16)17(2,3)4/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyVYJAJSUCTKXDEO-UHFFFAOYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83209888) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1nc(C(C)(C)C)cs1)CC2.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is VYJAJSUCTKXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-11-7-12-5-6-20(14(12)8-13(11)18)9-16-19-15(10-21-16)17(2,3)4/h7-8,10H,5-6,9,18H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 301.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83209888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).