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

C11H14N2OS — CID 115652412

IUPACN-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2occc2C)cs1
InChIInChI=1S/C11H14N2OS/c1-8-3-4-14-11(8)6-12-5-10-7-15-9(2)13-10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFDBKMKZDZXXSCW-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.64
Rot. Bonds4

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

N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 115652412) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID115652412
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2occc2C)cs1
InChIInChI=1S/C11H14N2OS/c1-8-3-4-14-11(8)6-12-5-10-7-15-9(2)13-10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFDBKMKZDZXXSCW-UHFFFAOYSA-N
XLogP2.64
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115774643
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
1-(1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62131520
N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 104806392
2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid
CID 114217782
2-methyl-6-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 112554021
1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81498908
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
1-(2-methyl-1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60961012

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 115652412) is N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCc2occc2C)cs1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is FDBKMKZDZXXSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-3-4-14-11(8)6-12-5-10-7-15-9(2)13-10/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 115652412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).