N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

C16H19N3OS — CID 25103446

IUPACN-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C(Cc2ccccn2)NC2=NCCS2)oc1C
InChIInChI=1S/C16H19N3OS/c1-11-9-15(20-12(11)2)14(19-16-18-7-8-21-16)10-13-5-3-4-6-17-13/h3-6,9,14H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyCJEZWVPCADZKGZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 25103446) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID25103446
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C(Cc2ccccn2)NC2=NCCS2)oc1C
InChIInChI=1S/C16H19N3OS/c1-11-9-15(20-12(11)2)14(19-16-18-7-8-21-16)10-13-5-3-4-6-17-13/h3-6,9,14H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyCJEZWVPCADZKGZ-UHFFFAOYSA-N
XLogP3.27
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 25103446) is N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C(Cc2ccccn2)NC2=NCCS2)oc1C.
What is the InChIKey of N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CJEZWVPCADZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-9-15(20-12(11)2)14(19-16-18-7-8-21-16)10-13-5-3-4-6-17-13/h3-6,9,14H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 301.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethylfuran-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 25103446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).