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

C12H12BrN3S — CID 166058003

IUPAC4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1[nH]c2ccccc2c1-c1csc(N)n1
InChIInChI=1S/C12H11N3S.BrH/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);1H
InChIKeyMZDKHEVAKDGRLV-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.76
Rot. Bonds1

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

4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 166058003) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID166058003
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC Name4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1[nH]c2ccccc2c1-c1csc(N)n1
InChIInChI=1S/C12H11N3S.BrH/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);1H
InChIKeyMZDKHEVAKDGRLV-UHFFFAOYSA-N
XLogP3.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.76
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;hydrobromide?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide (CID 166058003) is 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1[nH]c2ccccc2c1-c1csc(N)n1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is MZDKHEVAKDGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S.BrH/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);1H.
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide?
4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 310.22 g/mol, XLogP of 3.76, 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;hydrobromide is sourced from PubChem (CID 166058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).