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

C11H14N2OS — CID 116868204

IUPACN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C11H14N2OS/c1-7-4-5-9(14-7)11-13-8(2)10(15-11)6-12-3/h4-5,12H,6H2,1-3H3
InChIKeyQJCURXCZHPAGRM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.74
Rot. Bonds3

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

N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 116868204) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID116868204
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C11H14N2OS/c1-7-4-5-9(14-7)11-13-8(2)10(15-11)6-12-3/h4-5,12H,6H2,1-3H3
InChIKeyQJCURXCZHPAGRM-UHFFFAOYSA-N
XLogP2.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116885384
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884656
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885461
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 61282283
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
CID 116892451
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61283071
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887313
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868195

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine (CID 116868204) is N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(-c2ccc(C)o2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QJCURXCZHPAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7-4-5-9(14-7)11-13-8(2)10(15-11)6-12-3/h4-5,12H,6H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116868204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).