N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine

C13H19N3OS — CID 64542752

IUPACN-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C13H19N3OS/c1-9(14-3)12-8-18-13(15-12)16(4)7-11-5-6-17-10(11)2/h5-6,8-9,14H,7H2,1-4H3
InChIKeyMDBYSCYVFQWVNI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine

N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 64542752) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID64542752
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C13H19N3OS/c1-9(14-3)12-8-18-13(15-12)16(4)7-11-5-6-17-10(11)2/h5-6,8-9,14H,7H2,1-4H3
InChIKeyMDBYSCYVFQWVNI-UHFFFAOYSA-N
XLogP2.96
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine (CID 64542752) is N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine is CNC(C)c1csc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MDBYSCYVFQWVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(14-3)12-8-18-13(15-12)16(4)7-11-5-6-17-10(11)2/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64542752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).