N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide

C12H15N3OS2 — CID 107034233

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(S)cs1
InChIInChI=1S/C12H15N3OS2/c1-3-10-8(6-15(2)14-10)5-13-12(16)11-4-9(17)7-18-11/h4,6-7,17H,3,5H2,1-2H3,(H,13,16)
InChIKeyCFZUOTNCXQQGFX-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107034233) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107034233
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(S)cs1
InChIInChI=1S/C12H15N3OS2/c1-3-10-8(6-15(2)14-10)5-13-12(16)11-4-9(17)7-18-11/h4,6-7,17H,3,5H2,1-2H3,(H,13,16)
InChIKeyCFZUOTNCXQQGFX-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylthiophene-2-carboxamide
CID 112550092
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 115991451
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027924
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 115888256
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107034233) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide is CCc1nn(C)cc1CNC(=O)c1cc(S)cs1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is CFZUOTNCXQQGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-3-10-8(6-15(2)14-10)5-13-12(16)11-4-9(17)7-18-11/h4,6-7,17H,3,5H2,1-2H3,(H,13,16).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107034233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).