N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C16H16N2OS — CID 104790787

IUPACN-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccoc2C)nc1-c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-11-13(8-9-19-11)16-18-15(14(20-16)10-17-2)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3
InChIKeyHLPDEIZRWOSBON-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.10
Rot. Bonds4

About N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 104790787) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID104790787
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccoc2C)nc1-c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-11-13(8-9-19-11)16-18-15(14(20-16)10-17-2)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3
InChIKeyHLPDEIZRWOSBON-UHFFFAOYSA-N
XLogP4.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 104790787) is N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is CNCc1sc(-c2ccoc2C)nc1-c1ccccc1.
What is the InChIKey of N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is HLPDEIZRWOSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-13(8-9-19-11)16-18-15(14(20-16)10-17-2)12-6-4-3-5-7-12/h3-9,17H,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylfuran-3-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104790787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).