1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine

C14H12ClN3S2 — CID 106895048

IUPAC1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESClc1ccc(C(NCc2cccnn2)c2cccs2)s1
InChIInChI=1S/C14H12ClN3S2/c15-13-6-5-12(20-13)14(11-4-2-8-19-11)16-9-10-3-1-7-17-18-10/h1-8,14,16H,9H2
InChIKeyDYDMLVZHAUKQTI-UHFFFAOYSA-N
MW321.86 g/mol
LogP4.13
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine

1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 106895048) has the molecular formula C14H12ClN3S2 and a molecular weight of 321.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID106895048
Molecular FormulaC14H12ClN3S2
Molecular Weight321.86 g/mol
Exact Mass321.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESClc1ccc(C(NCc2cccnn2)c2cccs2)s1
InChIInChI=1S/C14H12ClN3S2/c15-13-6-5-12(20-13)14(11-4-2-8-19-11)16-9-10-3-1-7-17-18-10/h1-8,14,16H,9H2
InChIKeyDYDMLVZHAUKQTI-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 62323529
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
1-(5-chlorothiophen-2-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 106301944
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 62323365
(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
CID 81391932
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 106895048) is 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine is Clc1ccc(C(NCc2cccnn2)c2cccs2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is DYDMLVZHAUKQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S2/c15-13-6-5-12(20-13)14(11-4-2-8-19-11)16-9-10-3-1-7-17-18-10/h1-8,14,16H,9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 321.86 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 106895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).