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

C11H12N4O2S — CID 43429633

IUPAC5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)s1
InChIInChI=1S/C11H12N4O2S/c1-7-2-3-9(18-7)11(17)12-6-10(16)15-8-4-13-14-5-8/h2-5H,6H2,1H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyLWEPGBCZUCSQQH-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.15
Rot. Bonds4

About 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 43429633) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID43429633
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)s1
InChIInChI=1S/C11H12N4O2S/c1-7-2-3-9(18-7)11(17)12-6-10(16)15-8-4-13-14-5-8/h2-5H,6H2,1H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyLWEPGBCZUCSQQH-UHFFFAOYSA-N
XLogP1.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide (CID 43429633) is 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2cn[nH]c2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is LWEPGBCZUCSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-2-3-9(18-7)11(17)12-6-10(16)15-8-4-13-14-5-8/h2-5H,6H2,1H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 43429633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).