(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine

C9H10N2OS2 — CID 130587741

IUPAC(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2cncs2)s1
InChIInChI=1S/C9H10N2OS2/c1-12-8-3-2-6(14-8)9(10)7-4-11-5-13-7/h2-5,9H,10H2,1H3
InChIKeyXHEDSTTWEPMQPH-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.26
Rot. Bonds3

About (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine

(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine (PubChem CID 130587741) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine
PubChem CID130587741
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Name(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2cncs2)s1
InChIInChI=1S/C9H10N2OS2/c1-12-8-3-2-6(14-8)9(10)7-4-11-5-13-7/h2-5,9H,10H2,1H3
InChIKeyXHEDSTTWEPMQPH-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine (CID 130587741) is (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine is COc1ccc(C(N)c2cncs2)s1.
What is the InChIKey of (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine?
The InChIKey is XHEDSTTWEPMQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-12-8-3-2-6(14-8)9(10)7-4-11-5-13-7/h2-5,9H,10H2,1H3.
What are the key properties of (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine?
(5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine has a molecular weight of 226.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxythiophen-2-yl)-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 130587741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).