4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

C16H17N3S — CID 8902468

IUPAC4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2c[nH]c3c(CC)cccc23)cs1
InChIInChI=1S/C16H17N3S/c1-3-8-17-16-19-14(10-20-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,17,19)
InChIKeyDOWJJMQPPFIWML-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.45
Rot. Bonds5

About 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 8902468) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID8902468
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2c[nH]c3c(CC)cccc23)cs1
InChIInChI=1S/C16H17N3S/c1-3-8-17-16-19-14(10-20-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,17,19)
InChIKeyDOWJJMQPPFIWML-UHFFFAOYSA-N
XLogP4.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 8902468) is 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2c[nH]c3c(CC)cccc23)cs1.
What is the InChIKey of 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is DOWJJMQPPFIWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-8-17-16-19-14(10-20-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,17,19).
What are the key properties of 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8902468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).