1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea

C11H10ClN3OS — CID 970893

IUPAC1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN3OS/c12-8-3-4-10(13-6-8)15-11(17)14-7-9-2-1-5-16-9/h1-6H,7H2,(H2,13,14,15,17)
InChIKeyYKKNSFWEQIPPGG-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.81
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea

1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea (PubChem CID 970893) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea
PubChem CID970893
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H10ClN3OS/c12-8-3-4-10(13-6-8)15-11(17)14-7-9-2-1-5-16-9/h1-6H,7H2,(H2,13,14,15,17)
InChIKeyYKKNSFWEQIPPGG-UHFFFAOYSA-N
XLogP2.81
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea (CID 970893) is 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea is S=C(NCc1ccco1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea?
The InChIKey is YKKNSFWEQIPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-8-3-4-10(13-6-8)15-11(17)14-7-9-2-1-5-16-9/h1-6H,7H2,(H2,13,14,15,17).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea?
1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea has a molecular weight of 267.74 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).