4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

C14H15N3O3S — CID 82220561

IUPAC4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1cc2c(-c3csc(N)n3)c[nH]c2c(OC)c1OC
InChIInChI=1S/C14H15N3O3S/c1-18-10-4-7-8(9-6-21-14(15)17-9)5-16-11(7)13(20-3)12(10)19-2/h4-6,16H,1-3H3,(H2,15,17)
InChIKeyTWVPCHFMLWARKJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.90
Rot. Bonds4

About 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 82220561) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID82220561
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1cc2c(-c3csc(N)n3)c[nH]c2c(OC)c1OC
InChIInChI=1S/C14H15N3O3S/c1-18-10-4-7-8(9-6-21-14(15)17-9)5-16-11(7)13(20-3)12(10)19-2/h4-6,16H,1-3H3,(H2,15,17)
InChIKeyTWVPCHFMLWARKJ-UHFFFAOYSA-N
XLogP2.90
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 82220561) is 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine is COc1cc2c(-c3csc(N)n3)c[nH]c2c(OC)c1OC.
What is the InChIKey of 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is TWVPCHFMLWARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-18-10-4-7-8(9-6-21-14(15)17-9)5-16-11(7)13(20-3)12(10)19-2/h4-6,16H,1-3H3,(H2,15,17).
What are the key properties of 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 305.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7-trimethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82220561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).