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

C14H15N3OS — CID 804956

IUPAC4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C
InChIInChI=1S/C14H15N3OS/c1-8-13(11-7-19-14(15)16-11)10-6-9(18-3)4-5-12(10)17(8)2/h4-7H,1-3H3,(H2,15,16)
InChIKeyVPDSGUDJGGDJMS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.20
Rot. Bonds2

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

4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine (PubChem CID 804956) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
PubChem CID804956
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C
InChIInChI=1S/C14H15N3OS/c1-8-13(11-7-19-14(15)16-11)10-6-9(18-3)4-5-12(10)17(8)2/h4-7H,1-3H3,(H2,15,16)
InChIKeyVPDSGUDJGGDJMS-UHFFFAOYSA-N
XLogP3.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine (CID 804956) is 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine is COc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2C.
What is the InChIKey of 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is VPDSGUDJGGDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-13(11-7-19-14(15)16-11)10-6-9(18-3)4-5-12(10)17(8)2/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine?
4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.20, 2 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)-1,3-thiazol-2-amine is sourced from PubChem (CID 804956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).