4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine

C16H17N3OS — CID 80649270

IUPAC4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCC(C)Oc1ccc2[nH]cc(/C=C/c3csc(N)n3)c2c1
InChIInChI=1S/C16H17N3OS/c1-10(2)20-13-5-6-15-14(7-13)11(8-18-15)3-4-12-9-21-16(17)19-12/h3-10,18H,1-2H3,(H2,17,19)/b4-3+
InChIKeyONIKUAVXZXADPP-ONEGZZNKSA-N
MW299.40 g/mol
LogP4.16
Rot. Bonds4

About 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 80649270) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID80649270
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCC(C)Oc1ccc2[nH]cc(/C=C/c3csc(N)n3)c2c1
InChIInChI=1S/C16H17N3OS/c1-10(2)20-13-5-6-15-14(7-13)11(8-18-15)3-4-12-9-21-16(17)19-12/h3-10,18H,1-2H3,(H2,17,19)/b4-3+
InChIKeyONIKUAVXZXADPP-ONEGZZNKSA-N
XLogP4.16
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine (CID 80649270) is 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine is CC(C)Oc1ccc2[nH]cc(/C=C/c3csc(N)n3)c2c1.
What is the InChIKey of 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is ONIKUAVXZXADPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10(2)20-13-5-6-15-14(7-13)11(8-18-15)3-4-12-9-21-16(17)19-12/h3-10,18H,1-2H3,(H2,17,19)/b4-3+.
What are the key properties of 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5-propan-2-yloxy-1H-indol-3-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80649270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).