N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine

C15H17N3OS2 — CID 84594301

IUPACN-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(-c2ncc(CN(C)CCc3nccs3)s2)o1
InChIInChI=1S/C15H17N3OS2/c1-11-3-4-13(19-11)15-17-9-12(21-15)10-18(2)7-5-14-16-6-8-20-14/h3-4,6,8-9H,5,7,10H2,1-2H3
InChIKeyFKWMVBMNUZMMEX-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.84
Rot. Bonds6

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

N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 84594301) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID84594301
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC NameN-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(-c2ncc(CN(C)CCc3nccs3)s2)o1
InChIInChI=1S/C15H17N3OS2/c1-11-3-4-13(19-11)15-17-9-12(21-15)10-18(2)7-5-14-16-6-8-20-14/h3-4,6,8-9H,5,7,10H2,1-2H3
InChIKeyFKWMVBMNUZMMEX-UHFFFAOYSA-N
XLogP3.84
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 84594301) is N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is Cc1ccc(-c2ncc(CN(C)CCc3nccs3)s2)o1.
What is the InChIKey of N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is FKWMVBMNUZMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-11-3-4-13(19-11)15-17-9-12(21-15)10-18(2)7-5-14-16-6-8-20-14/h3-4,6,8-9H,5,7,10H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 319.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 84594301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).