2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide

C11H10N4O2S2 — CID 4813740

IUPAC2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1ncccn1
InChIInChI=1S/C11H10N4O2S2/c12-9(17)7-2-5-18-10(7)15-8(16)6-19-11-13-3-1-4-14-11/h1-5H,6H2,(H2,12,17)(H,15,16)
InChIKeyYLYAWSWEWXXJAP-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.37
Rot. Bonds5

About 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide

2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide (PubChem CID 4813740) has the molecular formula C11H10N4O2S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide
PubChem CID4813740
Molecular FormulaC11H10N4O2S2
Molecular Weight294.36 g/mol
Exact Mass294.02
IUPAC Name2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CSc1ncccn1
InChIInChI=1S/C11H10N4O2S2/c12-9(17)7-2-5-18-10(7)15-8(16)6-19-11-13-3-1-4-14-11/h1-5H,6H2,(H2,12,17)(H,15,16)
InChIKeyYLYAWSWEWXXJAP-UHFFFAOYSA-N
XLogP1.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide (CID 4813740) is 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CSc1ncccn1.
What is the InChIKey of 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is YLYAWSWEWXXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S2/c12-9(17)7-2-5-18-10(7)15-8(16)6-19-11-13-3-1-4-14-11/h1-5H,6H2,(H2,12,17)(H,15,16).
What are the key properties of 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide?
2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 4813740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).