N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine

C16H16N2O2S — CID 886954

IUPACN-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NCc3ccco3)n2)cc1C
InChIInChI=1S/C16H16N2O2S/c1-11-8-12(5-6-15(11)19-2)14-10-21-16(18-14)17-9-13-4-3-7-20-13/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyMCGNOXDETLWISR-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.33
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 886954) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID886954
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NCc3ccco3)n2)cc1C
InChIInChI=1S/C16H16N2O2S/c1-11-8-12(5-6-15(11)19-2)14-10-21-16(18-14)17-9-13-4-3-7-20-13/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyMCGNOXDETLWISR-UHFFFAOYSA-N
XLogP4.33
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine (CID 886954) is N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NCc3ccco3)n2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MCGNOXDETLWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-8-12(5-6-15(11)19-2)14-10-21-16(18-14)17-9-13-4-3-7-20-13/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 300.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 886954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).