1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H18N2OS — CID 65406397

IUPAC1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CCOc3ccccc32)nc1C
InChIInChI=1S/C15H18N2OS/c1-10-14(9-16-2)19-15(17-10)12-7-8-18-13-6-4-3-5-11(12)13/h3-6,12,16H,7-9H2,1-2H3
InChIKeyVTWMRGCXRMYPGY-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.09
Rot. Bonds3

About 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 65406397) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID65406397
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CCOc3ccccc32)nc1C
InChIInChI=1S/C15H18N2OS/c1-10-14(9-16-2)19-15(17-10)12-7-8-18-13-6-4-3-5-11(12)13/h3-6,12,16H,7-9H2,1-2H3
InChIKeyVTWMRGCXRMYPGY-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 65406397) is 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2CCOc3ccccc32)nc1C.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VTWMRGCXRMYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-14(9-16-2)19-15(17-10)12-7-8-18-13-6-4-3-5-11(12)13/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65406397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).