4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine

C15H17N3OS — CID 3749587

IUPAC4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c(C)n(C)c3ccc(OC)cc23)cs1
InChIInChI=1S/C15H17N3OS/c1-9-14(12-8-20-15(16-2)17-12)11-7-10(19-4)5-6-13(11)18(9)3/h5-8H,1-4H3,(H,16,17)
InChIKeyFUDWFUXZKISFAT-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.66
Rot. Bonds3

About 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine

4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 3749587) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID3749587
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c(C)n(C)c3ccc(OC)cc23)cs1
InChIInChI=1S/C15H17N3OS/c1-9-14(12-8-20-15(16-2)17-12)11-7-10(19-4)5-6-13(11)18(9)3/h5-8H,1-4H3,(H,16,17)
InChIKeyFUDWFUXZKISFAT-UHFFFAOYSA-N
XLogP3.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 3749587) is 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2c(C)n(C)c3ccc(OC)cc23)cs1.
What is the InChIKey of 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FUDWFUXZKISFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-14(12-8-20-15(16-2)17-12)11-7-10(19-4)5-6-13(11)18(9)3/h5-8H,1-4H3,(H,16,17).
What are the key properties of 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 287.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,2-dimethylindol-3-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3749587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).