N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide

C16H14N4OS — CID 8982260

IUPACN-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N4OS/c21-16(9-15-7-4-8-22-15)19-17-10-13-11-18-20(12-13)14-5-2-1-3-6-14/h1-8,10-12H,9H2,(H,19,21)/b17-10-
InChIKeyKSMNMOADFGAWFV-YVLHZVERSA-N
MW310.38 g/mol
LogP2.63
Rot. Bonds5

About N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 8982260) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID8982260
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N4OS/c21-16(9-15-7-4-8-22-15)19-17-10-13-11-18-20(12-13)14-5-2-1-3-6-14/h1-8,10-12H,9H2,(H,19,21)/b17-10-
InChIKeyKSMNMOADFGAWFV-YVLHZVERSA-N
XLogP2.63
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]butanamide
CID 8981777
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(1-phenylpyrazol-4-yl)methylideneamino]octanamide
CID 5101111
2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8978718
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6862499
2-(4-bromophenoxy)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 8979522
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
(E)-3-(1-phenylpyrazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31839809
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide (CID 8982260) is N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is KSMNMOADFGAWFV-YVLHZVERSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(9-15-7-4-8-22-15)19-17-10-13-11-18-20(12-13)14-5-2-1-3-6-14/h1-8,10-12H,9H2,(H,19,21)/b17-10-.
What are the key properties of N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 310.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 8982260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).