N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine

C12H11N3S — CID 6624550

IUPACN-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine
SMILESC=CCNc1nc2c([nH]c3ccccc32)s1
InChIInChI=1S/C12H11N3S/c1-2-7-13-12-15-10-8-5-3-4-6-9(8)14-11(10)16-12/h2-6,14H,1,7H2,(H,13,15)
InChIKeyPAWQLJIFYVDRJY-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.38
Rot. Bonds3

About N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine

N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine (PubChem CID 6624550) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine
PubChem CID6624550
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC NameN-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine
SMILESC=CCNc1nc2c([nH]c3ccccc32)s1
InChIInChI=1S/C12H11N3S/c1-2-7-13-12-15-10-8-5-3-4-6-9(8)14-11(10)16-12/h2-6,14H,1,7H2,(H,13,15)
InChIKeyPAWQLJIFYVDRJY-UHFFFAOYSA-N
XLogP3.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.38
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 N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine?
The IUPAC name of N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine (CID 6624550) is N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine.
What is the SMILES notation for N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine?
The canonical SMILES for N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine is C=CCNc1nc2c([nH]c3ccccc32)s1.
What is the InChIKey of N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine?
The InChIKey is PAWQLJIFYVDRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-2-7-13-12-15-10-8-5-3-4-6-9(8)14-11(10)16-12/h2-6,14H,1,7H2,(H,13,15).
What are the key properties of N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine?
N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4H-[1,3]thiazolo[5,4-b]indol-2-amine is sourced from PubChem (CID 6624550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).