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

C12H16N2OS — CID 114990272

IUPACN-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1ccc(C)o1
InChIInChI=1S/C12H16N2OS/c1-3-6-13-12(10-7-16-8-14-10)11-5-4-9(2)15-11/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeyDCZDJUCTFXXFFD-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.13
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 114990272) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID114990272
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1ccc(C)o1
InChIInChI=1S/C12H16N2OS/c1-3-6-13-12(10-7-16-8-14-10)11-5-4-9(2)15-11/h4-5,7-8,12-13H,3,6H2,1-2H3
InChIKeyDCZDJUCTFXXFFD-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 78923898
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 107129043
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 79692841
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[(2,3-dimethylimidazol-4-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 114283544
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 114990272) is N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1cscn1)c1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is DCZDJUCTFXXFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-6-13-12(10-7-16-8-14-10)11-5-4-9(2)15-11/h4-5,7-8,12-13H,3,6H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114990272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).