N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine

C18H14N4S — CID 130329426

IUPACN-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine
SMILESC(=C\c1cnccc1-c1cn[nH]c1)\Nc1ccc2ccsc2c1
InChIInChI=1S/C18H14N4S/c1-2-16(9-18-13(1)5-8-23-18)20-7-3-14-10-19-6-4-17(14)15-11-21-22-12-15/h1-12,20H,(H,21,22)/b7-3-
InChIKeyOHGQJRHZZBVRTA-CLTKARDFSA-N
MW318.41 g/mol
LogP4.77
Rot. Bonds4

About N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine

N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine (PubChem CID 130329426) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine.

Molecular Properties

Compound NameN-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine
PubChem CID130329426
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC NameN-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine
SMILESC(=C\c1cnccc1-c1cn[nH]c1)\Nc1ccc2ccsc2c1
InChIInChI=1S/C18H14N4S/c1-2-16(9-18-13(1)5-8-23-18)20-7-3-14-10-19-6-4-17(14)15-11-21-22-12-15/h1-12,20H,(H,21,22)/b7-3-
InChIKeyOHGQJRHZZBVRTA-CLTKARDFSA-N
XLogP4.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine?
The IUPAC name of N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine (CID 130329426) is N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine.
What is the SMILES notation for N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine?
The canonical SMILES for N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine is C(=C\c1cnccc1-c1cn[nH]c1)\Nc1ccc2ccsc2c1.
What is the InChIKey of N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine?
The InChIKey is OHGQJRHZZBVRTA-CLTKARDFSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-16(9-18-13(1)5-8-23-18)20-7-3-14-10-19-6-4-17(14)15-11-21-22-12-15/h1-12,20H,(H,21,22)/b7-3-.
What are the key properties of N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine?
N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine has a molecular weight of 318.41 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[4-(1H-pyrazol-4-yl)-3-pyridinyl]ethenyl]-1-benzothiophen-6-amine is sourced from PubChem (CID 130329426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).