N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

C12H16N2OS — CID 115641842

IUPACN-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccoc1)c1ncc(C)s1
InChIInChI=1S/C12H16N2OS/c1-3-11(12-14-6-9(2)16-12)13-7-10-4-5-15-8-10/h4-6,8,11,13H,3,7H2,1-2H3
InChIKeyLECZSYRBMFXYDL-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.29
Rot. Bonds5

About N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 115641842) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID115641842
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ccoc1)c1ncc(C)s1
InChIInChI=1S/C12H16N2OS/c1-3-11(12-14-6-9(2)16-12)13-7-10-4-5-15-8-10/h4-6,8,11,13H,3,7H2,1-2H3
InChIKeyLECZSYRBMFXYDL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
CID 63000908
N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624873
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
1-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103786257
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115688389
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
1-cyclopropyl-N-(furan-3-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 115655386
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]hex-5-en-2-amine
CID 104578195
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 115641842) is N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1ccoc1)c1ncc(C)s1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is LECZSYRBMFXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-11(12-14-6-9(2)16-12)13-7-10-4-5-15-8-10/h4-6,8,11,13H,3,7H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115641842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).