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

C15H23N3OS — CID 62426837

IUPACN-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)Cc2cscn2)cc1C
InChIInChI=1S/C15H23N3OS/c1-4-5-16-7-15-12(2)6-14(19-15)9-18(3)8-13-10-20-11-17-13/h6,10-11,16H,4-5,7-9H2,1-3H3
InChIKeyBONVOJCLMVANBV-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.18
Rot. Bonds8

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

N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62426837) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62426837
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)Cc2cscn2)cc1C
InChIInChI=1S/C15H23N3OS/c1-4-5-16-7-15-12(2)6-14(19-15)9-18(3)8-13-10-20-11-17-13/h6,10-11,16H,4-5,7-9H2,1-3H3
InChIKeyBONVOJCLMVANBV-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62426837) is N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN(C)Cc2cscn2)cc1C.
What is the InChIKey of N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is BONVOJCLMVANBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-5-16-7-15-12(2)6-14(19-15)9-18(3)8-13-10-20-11-17-13/h6,10-11,16H,4-5,7-9H2,1-3H3.
What are the key properties of N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62426837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).