N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine

C16H13N3OS2 — CID 126634795

IUPACN-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
SMILESCN(Sc1ccco1)c1cccc2cc(-c3nccs3)[nH]c12
InChIInChI=1S/C16H13N3OS2/c1-19(22-14-6-3-8-20-14)13-5-2-4-11-10-12(18-15(11)13)16-17-7-9-21-16/h2-10,18H,1H3
InChIKeyZBFFAEMLQJWIAN-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.03
Rot. Bonds4

About N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine

N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine (PubChem CID 126634795) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine.

Molecular Properties

Compound NameN-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
PubChem CID126634795
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC NameN-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
SMILESCN(Sc1ccco1)c1cccc2cc(-c3nccs3)[nH]c12
InChIInChI=1S/C16H13N3OS2/c1-19(22-14-6-3-8-20-14)13-5-2-4-11-10-12(18-15(11)13)16-17-7-9-21-16/h2-10,18H,1H3
InChIKeyZBFFAEMLQJWIAN-UHFFFAOYSA-N
XLogP5.03
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
The IUPAC name of N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine (CID 126634795) is N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine.
What is the SMILES notation for N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
The canonical SMILES for N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine is CN(Sc1ccco1)c1cccc2cc(-c3nccs3)[nH]c12.
What is the InChIKey of N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
The InChIKey is ZBFFAEMLQJWIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-19(22-14-6-3-8-20-14)13-5-2-4-11-10-12(18-15(11)13)16-17-7-9-21-16/h2-10,18H,1H3.
What are the key properties of N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine has a molecular weight of 327.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylsulfanyl)-N-methyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine is sourced from PubChem (CID 126634795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).