N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine

C12H15ClN2OS — CID 60895734

IUPACN'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
SMILESNCCCNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2OS/c13-11-5-4-10(17-11)12(15-7-2-6-14)9-3-1-8-16-9/h1,3-5,8,12,15H,2,6-7,14H2
InChIKeyKMTFZNOFELCZNW-UHFFFAOYSA-N
MW270.79 g/mol
LogP3.02
Rot. Bonds6

About N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine

N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine (PubChem CID 60895734) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
PubChem CID60895734
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC NameN'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
SMILESNCCCNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2OS/c13-11-5-4-10(17-11)12(15-7-2-6-14)9-3-1-8-16-9/h1,3-5,8,12,15H,2,6-7,14H2
InChIKeyKMTFZNOFELCZNW-UHFFFAOYSA-N
XLogP3.02
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324998
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 61324706
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]propanamide
CID 43777111

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine (CID 60895734) is N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine is NCCCNC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine?
The InChIKey is KMTFZNOFELCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-11-5-4-10(17-11)12(15-7-2-6-14)9-3-1-8-16-9/h1,3-5,8,12,15H,2,6-7,14H2.
What are the key properties of N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine?
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine has a molecular weight of 270.79 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 60895734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).