1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C16H19N3S — CID 107235680

IUPAC1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C16H19N3S/c1-11-13-6-4-5-7-14(13)19(3)15(11)8-17-9-16-12(2)18-10-20-16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUQRDXVGLPORREU-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.54
Rot. Bonds4

About 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 107235680) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID107235680
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C16H19N3S/c1-11-13-6-4-5-7-14(13)19(3)15(11)8-17-9-16-12(2)18-10-20-16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyUQRDXVGLPORREU-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 107235680) is 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNCc1c(C)c2ccccc2n1C.
What is the InChIKey of 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is UQRDXVGLPORREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-13-6-4-5-7-14(13)19(3)15(11)8-17-9-16-12(2)18-10-20-16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 285.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107235680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).