6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide

C14H14FN3S — CID 43566303

IUPAC6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCc2cccc(F)c2)nc1
InChIInChI=1S/C14H14FN3S/c15-12-3-1-2-10(8-12)6-7-17-13-5-4-11(9-18-13)14(16)19/h1-5,8-9H,6-7H2,(H2,16,19)(H,17,18)
InChIKeyLDAUPHJFHXWEBU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds5

About 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide

6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide (PubChem CID 43566303) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide
PubChem CID43566303
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCCc2cccc(F)c2)nc1
InChIInChI=1S/C14H14FN3S/c15-12-3-1-2-10(8-12)6-7-17-13-5-4-11(9-18-13)14(16)19/h1-5,8-9H,6-7H2,(H2,16,19)(H,17,18)
InChIKeyLDAUPHJFHXWEBU-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
6-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954330
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 63826078
6-(3-phenoxypropylamino)pyridine-3-carbothioamide
CID 62380787
N-[2-(3-fluorophenyl)ethyl]quinolin-2-amine
CID 43400469
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
6-[2-(3-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109161942
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzenecarbothioamide
CID 107934495
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
3-[(3-fluorophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656435
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide (CID 43566303) is 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide is NC(=S)c1ccc(NCCc2cccc(F)c2)nc1.
What is the InChIKey of 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is LDAUPHJFHXWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c15-12-3-1-2-10(8-12)6-7-17-13-5-4-11(9-18-13)14(16)19/h1-5,8-9H,6-7H2,(H2,16,19)(H,17,18).
What are the key properties of 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide?
6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 275.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 43566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).