4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

C12H11N3OS — CID 938433

IUPAC4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2c(-c3csc(N)n3)c[nH]c2c1
InChIInChI=1S/C12H11N3OS/c1-16-7-2-3-8-9(5-14-10(8)4-7)11-6-17-12(13)15-11/h2-6,14H,1H3,(H2,13,15)
InChIKeyVMQWROWIGUGMDA-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.88
Rot. Bonds2

About 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 938433) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID938433
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2c(-c3csc(N)n3)c[nH]c2c1
InChIInChI=1S/C12H11N3OS/c1-16-7-2-3-8-9(5-14-10(8)4-7)11-6-17-12(13)15-11/h2-6,14H,1H3,(H2,13,15)
InChIKeyVMQWROWIGUGMDA-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 938433) is 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine is COc1ccc2c(-c3csc(N)n3)c[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is VMQWROWIGUGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-16-7-2-3-8-9(5-14-10(8)4-7)11-6-17-12(13)15-11/h2-6,14H,1H3,(H2,13,15).
What are the key properties of 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 245.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 938433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).