N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide

C11H12N4O2S — CID 43429819

IUPACN-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cn[nH]c1)C(=O)c1cccs1
InChIInChI=1S/C11H12N4O2S/c1-15(11(17)9-3-2-4-18-9)7-10(16)14-8-5-12-13-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,16)
InChIKeyVVXDQCJEDUDABH-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 43429819) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID43429819
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cn[nH]c1)C(=O)c1cccs1
InChIInChI=1S/C11H12N4O2S/c1-15(11(17)9-3-2-4-18-9)7-10(16)14-8-5-12-13-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,16)
InChIKeyVVXDQCJEDUDABH-UHFFFAOYSA-N
XLogP1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide (CID 43429819) is N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide is CN(CC(=O)Nc1cn[nH]c1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is VVXDQCJEDUDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-15(11(17)9-3-2-4-18-9)7-10(16)14-8-5-12-13-6-8/h2-6H,7H2,1H3,(H,12,13)(H,14,16).
What are the key properties of N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 43429819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).