(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

C11H11N3S2 — CID 103134428

IUPAC(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCn1ccc(C(N)c2cc3sccc3s2)n1
InChIInChI=1S/C11H11N3S2/c1-14-4-2-7(13-14)11(12)10-6-9-8(16-10)3-5-15-9/h2-6,11H,12H2,1H3
InChIKeyZYOGAARJJHWFJW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.74
Rot. Bonds2

About (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 103134428) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID103134428
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCn1ccc(C(N)c2cc3sccc3s2)n1
InChIInChI=1S/C11H11N3S2/c1-14-4-2-7(13-14)11(12)10-6-9-8(16-10)3-5-15-9/h2-6,11H,12H2,1H3
InChIKeyZYOGAARJJHWFJW-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135081
(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105043877
(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130674397
(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134660
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 103134428) is (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is Cn1ccc(C(N)c2cc3sccc3s2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is ZYOGAARJJHWFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c1-14-4-2-7(13-14)11(12)10-6-9-8(16-10)3-5-15-9/h2-6,11H,12H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 103134428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).