N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide

C19H21FN6S — CID 137086867

IUPACN-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
SMILESFc1cnc2c(c1)NCC/C2=N/NC(=S)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN6S/c20-14-12-17-18(22-13-14)16(6-7-21-17)23-24-19(27)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-5,12-13,21H,6-11H2,(H,24,27)/b23-16-
InChIKeyPRKBQUHPIWRHRZ-KQWNVCNZSA-N
MW384.48 g/mol
LogP2.44
Rot. Bonds2

About N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide

N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide (PubChem CID 137086867) has the molecular formula C19H21FN6S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
PubChem CID137086867
Molecular FormulaC19H21FN6S
Molecular Weight384.48 g/mol
Exact Mass384.15
IUPAC NameN-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide
SMILESFc1cnc2c(c1)NCC/C2=N/NC(=S)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN6S/c20-14-12-17-18(22-13-14)16(6-7-21-17)23-24-19(27)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-5,12-13,21H,6-11H2,(H,24,27)/b23-16-
InChIKeyPRKBQUHPIWRHRZ-KQWNVCNZSA-N
XLogP2.44
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
The IUPAC name of N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide (CID 137086867) is N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide.
What is the SMILES notation for N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
The canonical SMILES for N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide is Fc1cnc2c(c1)NCC/C2=N/NC(=S)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
The InChIKey is PRKBQUHPIWRHRZ-KQWNVCNZSA-N. The full InChI is InChI=1S/C19H21FN6S/c20-14-12-17-18(22-13-14)16(6-7-21-17)23-24-19(27)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-5,12-13,21H,6-11H2,(H,24,27)/b23-16-.
What are the key properties of N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide?
N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide has a molecular weight of 384.48 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-fluoro-2,3-dihydro-1H-1,5-naphthyridin-4-ylidene)amino]-4-phenylpiperazine-1-carbothioamide is sourced from PubChem (CID 137086867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).