5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C8H7N3OS2 — CID 102199960

IUPAC5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cccs2)sc1N
InChIInChI=1S/C8H7N3OS2/c9-6(12)5-7(10)14-8(11-5)4-2-1-3-13-4/h1-3H,10H2,(H2,9,12)
InChIKeyJTJYLUOQPICKCL-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.55
Rot. Bonds2

About 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 102199960) has the molecular formula C8H7N3OS2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID102199960
Molecular FormulaC8H7N3OS2
Molecular Weight225.30 g/mol
Exact Mass225.00
IUPAC Name5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cccs2)sc1N
InChIInChI=1S/C8H7N3OS2/c9-6(12)5-7(10)14-8(11-5)4-2-1-3-13-4/h1-3H,10H2,(H2,9,12)
InChIKeyJTJYLUOQPICKCL-UHFFFAOYSA-N
XLogP1.55
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 102199960) is 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2cccs2)sc1N.
What is the InChIKey of 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JTJYLUOQPICKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS2/c9-6(12)5-7(10)14-8(11-5)4-2-1-3-13-4/h1-3H,10H2,(H2,9,12).
What are the key properties of 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102199960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).