6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H19N5S — CID 48736147

IUPAC6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cc(CNc2nn3cc(C)nc3s2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H19N5S/c1-9-5-13(15-14(6-9)11(3)12(4)20-15)7-18-16-21-22-8-10(2)19-17(22)23-16/h5-6,8,20H,7H2,1-4H3,(H,18,21)
InChIKeyJDDHGOUXTKWNLF-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.12
Rot. Bonds3

About 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 48736147) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID48736147
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cc(CNc2nn3cc(C)nc3s2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H19N5S/c1-9-5-13(15-14(6-9)11(3)12(4)20-15)7-18-16-21-22-8-10(2)19-17(22)23-16/h5-6,8,20H,7H2,1-4H3,(H,18,21)
InChIKeyJDDHGOUXTKWNLF-UHFFFAOYSA-N
XLogP4.12
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 48736147) is 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cc(CNc2nn3cc(C)nc3s2)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is JDDHGOUXTKWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-9-5-13(15-14(6-9)11(3)12(4)20-15)7-18-16-21-22-8-10(2)19-17(22)23-16/h5-6,8,20H,7H2,1-4H3,(H,18,21).
What are the key properties of 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 325.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 48736147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).