(2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone

C10H9NOS2 — CID 644818

IUPAC(2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C(=O)c2cccs2)c(N)s1
InChIInChI=1S/C10H9NOS2/c1-6-5-7(10(11)14-6)9(12)8-3-2-4-13-8/h2-5H,11H2,1H3
InChIKeyVHAZJILCIAUTIA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.93
Rot. Bonds2

About (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone

(2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone (PubChem CID 644818) has the molecular formula C10H9NOS2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone
PubChem CID644818
Molecular FormulaC10H9NOS2
Molecular Weight223.32 g/mol
Exact Mass223.01
IUPAC Name(2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C(=O)c2cccs2)c(N)s1
InChIInChI=1S/C10H9NOS2/c1-6-5-7(10(11)14-6)9(12)8-3-2-4-13-8/h2-5H,11H2,1H3
InChIKeyVHAZJILCIAUTIA-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone (CID 644818) is (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone is Cc1cc(C(=O)c2cccs2)c(N)s1.
What is the InChIKey of (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone?
The InChIKey is VHAZJILCIAUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS2/c1-6-5-7(10(11)14-6)9(12)8-3-2-4-13-8/h2-5H,11H2,1H3.
What are the key properties of (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone?
(2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone has a molecular weight of 223.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylthiophen-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 644818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).