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'}

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Related Compounds

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
CID 126773472
4-tert-butyl-2-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793763
2-[(4-bromoindol-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 116626215
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687910
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886597
1-[(4-methylphenyl)methyl]indol-7-amine
CID 114935703
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
CID 102917327
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylimidazol-2-one
CID 116625212
(4-tert-butyl-1,3-thiazol-2-yl)methyl 3-amino-2-chlorobenzoate
CID 115936143
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840

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).