1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine

C16H16ClNOS2 — CID 106009564

IUPAC1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCCc1ccc(CNC(c2ccco2)c2ccc(Cl)s2)s1
InChIInChI=1S/C16H16ClNOS2/c1-2-11-5-6-12(20-11)10-18-16(13-4-3-9-19-13)14-7-8-15(17)21-14/h3-9,16,18H,2,10H2,1H3
InChIKeyHUMWUKVBWIFPGU-UHFFFAOYSA-N
MW337.90 g/mol
LogP5.50
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine

1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 106009564) has the molecular formula C16H16ClNOS2 and a molecular weight of 337.90 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID106009564
Molecular FormulaC16H16ClNOS2
Molecular Weight337.90 g/mol
Exact Mass337.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCCc1ccc(CNC(c2ccco2)c2ccc(Cl)s2)s1
InChIInChI=1S/C16H16ClNOS2/c1-2-11-5-6-12(20-11)10-18-16(13-4-3-9-19-13)14-7-8-15(17)21-14/h3-9,16,18H,2,10H2,1H3
InChIKeyHUMWUKVBWIFPGU-UHFFFAOYSA-N
XLogP5.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.90
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
CID 79231629
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-ethylaniline
CID 43764328
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
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]-N-ethylethanesulfonamide
CID 106334631
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
CID 43765153
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]heptan-2-amine
CID 43778058

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine (CID 106009564) is 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine is CCc1ccc(CNC(c2ccco2)c2ccc(Cl)s2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is HUMWUKVBWIFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS2/c1-2-11-5-6-12(20-11)10-18-16(13-4-3-9-19-13)14-7-8-15(17)21-14/h3-9,16,18H,2,10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine?
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 337.90 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 106009564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).