1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea

C13H15N3OS — CID 100756414

IUPAC1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea
SMILESS=C(NCCCc1ccco1)Nc1ccncc1
InChIInChI=1S/C13H15N3OS/c18-13(16-11-5-8-14-9-6-11)15-7-1-3-12-4-2-10-17-12/h2,4-6,8-10H,1,3,7H2,(H2,14,15,16,18)
InChIKeyFFSRYGRRPQTPGY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds5

About 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea

1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea (PubChem CID 100756414) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea
PubChem CID100756414
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea
SMILESS=C(NCCCc1ccco1)Nc1ccncc1
InChIInChI=1S/C13H15N3OS/c18-13(16-11-5-8-14-9-6-11)15-7-1-3-12-4-2-10-17-12/h2,4-6,8-10H,1,3,7H2,(H2,14,15,16,18)
InChIKeyFFSRYGRRPQTPGY-UHFFFAOYSA-N
XLogP2.59
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756080
1-[3-(4-chlorophenyl)propyl]-3-pyridin-4-ylthiourea
CID 100673409
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
1-(2-phenylethyl)-3-pyridin-4-ylthiourea
CID 19655618
1-[3-(3-methylphenyl)propyl]-3-pyridin-4-ylthiourea
CID 100614381
1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea
CID 23296337
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
CID 8728003
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 3771523
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
CID 113218414
1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea?
The IUPAC name of 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea (CID 100756414) is 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea.
What is the SMILES notation for 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea?
The canonical SMILES for 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea is S=C(NCCCc1ccco1)Nc1ccncc1.
What is the InChIKey of 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea?
The InChIKey is FFSRYGRRPQTPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c18-13(16-11-5-8-14-9-6-11)15-7-1-3-12-4-2-10-17-12/h2,4-6,8-10H,1,3,7H2,(H2,14,15,16,18).
What are the key properties of 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea?
1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea has a molecular weight of 261.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea is sourced from PubChem (CID 100756414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).