N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine

C11H16N2OS — CID 102651992

IUPACN-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cncs1
InChIInChI=1S/C11H16N2OS/c1-2-5-13-11(9-4-3-6-14-9)10-7-12-8-15-10/h4,7-8,11,13H,2-3,5-6H2,1H3
InChIKeyAWQIOGLYUKEDED-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.49
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 102651992) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID102651992
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cncs1
InChIInChI=1S/C11H16N2OS/c1-2-5-13-11(9-4-3-6-14-9)10-7-12-8-15-10/h4,7-8,11,13H,2-3,5-6H2,1H3
InChIKeyAWQIOGLYUKEDED-UHFFFAOYSA-N
XLogP2.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,4-dihydro-2H-pyran-6-yl(1,3-thiazol-5-yl)methyl]hydrazine
CID 102650090
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653168
N-[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653122
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
N-[2,3-dihydrofuran-5-yl-(6-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653288
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649361

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine (CID 102651992) is N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cncs1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is AWQIOGLYUKEDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-5-13-11(9-4-3-6-14-9)10-7-12-8-15-10/h4,7-8,11,13H,2-3,5-6H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 224.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl(1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102651992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).