(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine

C13H12N2S2 — CID 54273607

IUPAC(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
SMILESNCc1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C13H12N2S2/c14-8-9-7-10(11-3-1-5-16-11)15-13(9)12-4-2-6-17-12/h1-7,15H,8,14H2
InChIKeyRLVZILMFZKDEPZ-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.93
Rot. Bonds3

About (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine

(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine (PubChem CID 54273607) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
PubChem CID54273607
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine
SMILESNCc1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C13H12N2S2/c14-8-9-7-10(11-3-1-5-16-11)15-13(9)12-4-2-6-17-12/h1-7,15H,8,14H2
InChIKeyRLVZILMFZKDEPZ-UHFFFAOYSA-N
XLogP3.93
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2,5-dithiophen-2-yl-1H-pyrrole
CID 53445362
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
4,7-difluoro-2-thiophen-2-yl-1H-indole
CID 131867723
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174225728
acetonitrile;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175553313
5-fluoro-2-thiophen-2-yl-1H-indol-6-amine
CID 82390356
2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106515564
1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649951
4-fluoro-7-methyl-2-thiophen-2-yl-1H-indole
CID 131887170
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661

Frequently Asked Questions

What is the IUPAC name of (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine?
The IUPAC name of (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine (CID 54273607) is (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine?
The canonical SMILES for (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine is NCc1cc(-c2cccs2)[nH]c1-c1cccs1.
What is the InChIKey of (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine?
The InChIKey is RLVZILMFZKDEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c14-8-9-7-10(11-3-1-5-16-11)15-13(9)12-4-2-6-17-12/h1-7,15H,8,14H2.
What are the key properties of (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine?
(2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine has a molecular weight of 260.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dithiophen-2-yl-1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 54273607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).