1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine

C16H19N3S — CID 114935834

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
SMILESCC(C)(C)c1csc(Cn2ccc3cccc(N)c32)n1
InChIInChI=1S/C16H19N3S/c1-16(2,3)13-10-20-14(18-13)9-19-8-7-11-5-4-6-12(17)15(11)19/h4-8,10H,9,17H2,1-3H3
InChIKeyOKEOIRZHCTULNT-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.03
Rot. Bonds2

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine (PubChem CID 114935834) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
PubChem CID114935834
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
SMILESCC(C)(C)c1csc(Cn2ccc3cccc(N)c32)n1
InChIInChI=1S/C16H19N3S/c1-16(2,3)13-10-20-14(18-13)9-19-8-7-11-5-4-6-12(17)15(11)19/h4-8,10H,9,17H2,1-3H3
InChIKeyOKEOIRZHCTULNT-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine (CID 114935834) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine is CC(C)(C)c1csc(Cn2ccc3cccc(N)c32)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine?
The InChIKey is OKEOIRZHCTULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-16(2,3)13-10-20-14(18-13)9-19-8-7-11-5-4-6-12(17)15(11)19/h4-8,10H,9,17H2,1-3H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine has a molecular weight of 285.42 g/mol, XLogP of 4.03, 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]indol-7-amine is sourced from PubChem (CID 114935834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).