[[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide

C18H13N4S- — CID 143559844

IUPAC[[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide
SMILES[N-]=C(Nc1ccc2c(ccn2-c2cccnc2)c1)c1cccs1
InChIInChI=1S/C18H13N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15/h1-12H,(H-,19,21)/q-1
InChIKeyRQSPUDPHDRLAEN-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.52
Rot. Bonds3

About [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide

[[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide (PubChem CID 143559844) has the molecular formula C18H13N4S- and a molecular weight of 317.40 g/mol. Its IUPAC name is [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide.

Molecular Properties

Compound Name[[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide
PubChem CID143559844
Molecular FormulaC18H13N4S-
Molecular Weight317.40 g/mol
Exact Mass317.09
IUPAC Name[[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide
SMILES[N-]=C(Nc1ccc2c(ccn2-c2cccnc2)c1)c1cccs1
InChIInChI=1S/C18H13N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15/h1-12H,(H-,19,21)/q-1
InChIKeyRQSPUDPHDRLAEN-UHFFFAOYSA-N
XLogP4.52
TPSA52.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide?
The IUPAC name of [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide (CID 143559844) is [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide.
What is the SMILES notation for [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide?
The canonical SMILES for [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide is [N-]=C(Nc1ccc2c(ccn2-c2cccnc2)c1)c1cccs1.
What is the InChIKey of [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide?
The InChIKey is RQSPUDPHDRLAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15/h1-12H,(H-,19,21)/q-1.
What are the key properties of [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide?
[[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide has a molecular weight of 317.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1-pyridin-3-ylindol-5-yl)amino]-thiophen-2-ylmethylidene]azanide is sourced from PubChem (CID 143559844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).