1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine

C16H15ClN2S2 — CID 62323529

IUPAC1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1cccc(CNC(c2cccs2)c2ccc(Cl)s2)n1
InChIInChI=1S/C16H15ClN2S2/c1-11-4-2-5-12(19-11)10-18-16(13-6-3-9-20-13)14-7-8-15(17)21-14/h2-9,16,18H,10H2,1H3
InChIKeyGNVMUAHULLEXJN-UHFFFAOYSA-N
MW334.90 g/mol
LogP5.05
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine

1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 62323529) has the molecular formula C16H15ClN2S2 and a molecular weight of 334.90 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID62323529
Molecular FormulaC16H15ClN2S2
Molecular Weight334.90 g/mol
Exact Mass334.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1cccc(CNC(c2cccs2)c2ccc(Cl)s2)n1
InChIInChI=1S/C16H15ClN2S2/c1-11-4-2-5-12(19-11)10-18-16(13-6-3-9-20-13)14-7-8-15(17)21-14/h2-9,16,18H,10H2,1H3
InChIKeyGNVMUAHULLEXJN-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 62323365
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
1-(5-chlorothiophen-2-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 106301944
N-[(2-methylpyrimidin-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61015866
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
N-[(6-bromo-2-pyridinyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 112582004
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine (CID 62323529) is 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine is Cc1cccc(CNC(c2cccs2)c2ccc(Cl)s2)n1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is GNVMUAHULLEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S2/c1-11-4-2-5-12(19-11)10-18-16(13-6-3-9-20-13)14-7-8-15(17)21-14/h2-9,16,18H,10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine?
1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 334.90 g/mol, XLogP of 5.05, 5 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-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 62323529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).