2-(pyrimidin-5-ylamino)thiophene-3-carboxamide

C9H8N4OS — CID 67084190

IUPAC2-(pyrimidin-5-ylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1Nc1cncnc1
InChIInChI=1S/C9H8N4OS/c10-8(14)7-1-2-15-9(7)13-6-3-11-5-12-4-6/h1-5,13H,(H2,10,14)
InChIKeyCLVNAXRVPKGDHG-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.38
Rot. Bonds3

About 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide

2-(pyrimidin-5-ylamino)thiophene-3-carboxamide (PubChem CID 67084190) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(pyrimidin-5-ylamino)thiophene-3-carboxamide
PubChem CID67084190
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name2-(pyrimidin-5-ylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1Nc1cncnc1
InChIInChI=1S/C9H8N4OS/c10-8(14)7-1-2-15-9(7)13-6-3-11-5-12-4-6/h1-5,13H,(H2,10,14)
InChIKeyCLVNAXRVPKGDHG-UHFFFAOYSA-N
XLogP1.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide (CID 67084190) is 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide is NC(=O)c1ccsc1Nc1cncnc1.
What is the InChIKey of 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide?
The InChIKey is CLVNAXRVPKGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-8(14)7-1-2-15-9(7)13-6-3-11-5-12-4-6/h1-5,13H,(H2,10,14).
What are the key properties of 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide?
2-(pyrimidin-5-ylamino)thiophene-3-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-5-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 67084190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).