N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine

C11H11N3OS — CID 73204476

IUPACN-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=CC=Cc2ccco2)n1
InChIInChI=1S/C11H11N3OS/c1-9-8-16-11(13-9)14-12-6-2-4-10-5-3-7-15-10/h2-8H,1H3,(H,13,14)
InChIKeyDEAXJEGQVHSDLO-UHFFFAOYSA-N
MW233.30 g/mol
LogP3.16
Rot. Bonds4

About N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 73204476) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID73204476
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=CC=Cc2ccco2)n1
InChIInChI=1S/C11H11N3OS/c1-9-8-16-11(13-9)14-12-6-2-4-10-5-3-7-15-10/h2-8H,1H3,(H,13,14)
InChIKeyDEAXJEGQVHSDLO-UHFFFAOYSA-N
XLogP3.16
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 73204476) is N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=CC=Cc2ccco2)n1.
What is the InChIKey of N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is DEAXJEGQVHSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-9-8-16-11(13-9)14-12-6-2-4-10-5-3-7-15-10/h2-8H,1H3,(H,13,14).
What are the key properties of N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 233.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)prop-2-enylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 73204476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).