4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

C12H11N3S — CID 804960

IUPAC4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCc1[nH]c2ccccc2c1-c1csc(N)n1
InChIInChI=1S/C12H11N3S/c1-7-11(10-6-16-12(13)15-10)8-4-2-3-5-9(8)14-7/h2-6,14H,1H3,(H2,13,15)
InChIKeyHBRJCZSXULOKGL-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.18
Rot. Bonds1

About 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 804960) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID804960
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCc1[nH]c2ccccc2c1-c1csc(N)n1
InChIInChI=1S/C12H11N3S/c1-7-11(10-6-16-12(13)15-10)8-4-2-3-5-9(8)14-7/h2-6,14H,1H3,(H2,13,15)
InChIKeyHBRJCZSXULOKGL-UHFFFAOYSA-N
XLogP3.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 804960) is 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is Cc1[nH]c2ccccc2c1-c1csc(N)n1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is HBRJCZSXULOKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-11(10-6-16-12(13)15-10)8-4-2-3-5-9(8)14-7/h2-6,14H,1H3,(H2,13,15).
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 804960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).