N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide

C13H16N4O2S — CID 30184065

IUPACN-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H16N4O2S/c1-9(2)17-11(5-6-15-17)16-12(18)8-14-13(19)10-4-3-7-20-10/h3-7,9H,8H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyURGFCEDCVOVWON-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.89
Rot. Bonds5

About N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 30184065) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide
PubChem CID30184065
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H16N4O2S/c1-9(2)17-11(5-6-15-17)16-12(18)8-14-13(19)10-4-3-7-20-10/h3-7,9H,8H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyURGFCEDCVOVWON-UHFFFAOYSA-N
XLogP1.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide (CID 30184065) is N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide is CC(C)n1nccc1NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is URGFCEDCVOVWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9(2)17-11(5-6-15-17)16-12(18)8-14-13(19)10-4-3-7-20-10/h3-7,9H,8H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 30184065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).