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

C12H16N2OS — CID 62524203

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCCc1nc(CNCc2ccc(C)o2)cs1
InChIInChI=1S/C12H16N2OS/c1-3-12-14-10(8-16-12)6-13-7-11-5-4-9(2)15-11/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJKCWMZCMIZHEME-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.90
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 62524203) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID62524203
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCCc1nc(CNCc2ccc(C)o2)cs1
InChIInChI=1S/C12H16N2OS/c1-3-12-14-10(8-16-12)6-13-7-11-5-4-9(2)15-11/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyJKCWMZCMIZHEME-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
CID 110906009
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 82738200
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine (CID 62524203) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine is CCc1nc(CNCc2ccc(C)o2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is JKCWMZCMIZHEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-12-14-10(8-16-12)6-13-7-11-5-4-9(2)15-11/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 62524203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).