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

C14H15N3S — CID 2032120

IUPAC4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc2c(c1)c(-c1nc(N)sc1C)cn2C
InChIInChI=1S/C14H15N3S/c1-8-4-5-12-10(6-8)11(7-17(12)3)13-9(2)18-14(15)16-13/h4-7H,1-3H3,(H2,15,16)
InChIKeyXKQOIRSATPTYBJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.50
Rot. Bonds1

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

4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 2032120) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID2032120
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc2c(c1)c(-c1nc(N)sc1C)cn2C
InChIInChI=1S/C14H15N3S/c1-8-4-5-12-10(6-8)11(7-17(12)3)13-9(2)18-14(15)16-13/h4-7H,1-3H3,(H2,15,16)
InChIKeyXKQOIRSATPTYBJ-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine (CID 2032120) is 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine is Cc1ccc2c(c1)c(-c1nc(N)sc1C)cn2C.
What is the InChIKey of 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is XKQOIRSATPTYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8-4-5-12-10(6-8)11(7-17(12)3)13-9(2)18-14(15)16-13/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine?
4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2032120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).