N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine

C14H21N3OS — CID 55112598

IUPACN,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)Cc2ccoc2C)nc1C
InChIInChI=1S/C14H21N3OS/c1-9(15-4)13-10(2)16-14(19-13)17(5)8-12-6-7-18-11(12)3/h6-7,9,15H,8H2,1-5H3
InChIKeySJSWPKAXSUGFLY-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.27
Rot. Bonds5

About N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 55112598) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID55112598
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)Cc2ccoc2C)nc1C
InChIInChI=1S/C14H21N3OS/c1-9(15-4)13-10(2)16-14(19-13)17(5)8-12-6-7-18-11(12)3/h6-7,9,15H,8H2,1-5H3
InChIKeySJSWPKAXSUGFLY-UHFFFAOYSA-N
XLogP3.27
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine (CID 55112598) is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)Cc2ccoc2C)nc1C.
What is the InChIKey of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SJSWPKAXSUGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9(15-4)13-10(2)16-14(19-13)17(5)8-12-6-7-18-11(12)3/h6-7,9,15H,8H2,1-5H3.
What are the key properties of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55112598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).