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

C12H11N3S — CID 43163574

IUPAC4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cccc2[nH]cc(-c3csc(N)n3)c12
InChIInChI=1S/C12H11N3S/c1-7-3-2-4-9-11(7)8(5-14-9)10-6-16-12(13)15-10/h2-6,14H,1H3,(H2,13,15)
InChIKeyMUBKPCGQEYMWQT-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.18
Rot. Bonds1

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

4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 43163574) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID43163574
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cccc2[nH]cc(-c3csc(N)n3)c12
InChIInChI=1S/C12H11N3S/c1-7-3-2-4-9-11(7)8(5-14-9)10-6-16-12(13)15-10/h2-6,14H,1H3,(H2,13,15)
InChIKeyMUBKPCGQEYMWQT-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-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 43163574) is 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is Cc1cccc2[nH]cc(-c3csc(N)n3)c12.
What is the InChIKey of 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MUBKPCGQEYMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-3-2-4-9-11(7)8(5-14-9)10-6-16-12(13)15-10/h2-6,14H,1H3,(H2,13,15).
What are the key properties of 4-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(4-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-(4-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43163574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).