2-chloro-N-(thian-4-yl)pyridin-3-amine

C10H13ClN2S — CID 43690107

IUPAC2-chloro-N-(thian-4-yl)pyridin-3-amine
SMILESClc1ncccc1NC1CCSCC1
InChIInChI=1S/C10H13ClN2S/c11-10-9(2-1-5-12-10)13-8-3-6-14-7-4-8/h1-2,5,8,13H,3-4,6-7H2
InChIKeyIQWKQVYSVPBXPA-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N-(thian-4-yl)pyridin-3-amine

2-chloro-N-(thian-4-yl)pyridin-3-amine (PubChem CID 43690107) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 2-chloro-N-(thian-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(thian-4-yl)pyridin-3-amine
PubChem CID43690107
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name2-chloro-N-(thian-4-yl)pyridin-3-amine
SMILESClc1ncccc1NC1CCSCC1
InChIInChI=1S/C10H13ClN2S/c11-10-9(2-1-5-12-10)13-8-3-6-14-7-4-8/h1-2,5,8,13H,3-4,6-7H2
InChIKeyIQWKQVYSVPBXPA-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thian-4-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(thian-4-yl)pyridin-3-amine (CID 43690107) is 2-chloro-N-(thian-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(thian-4-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(thian-4-yl)pyridin-3-amine is Clc1ncccc1NC1CCSCC1.
What is the InChIKey of 2-chloro-N-(thian-4-yl)pyridin-3-amine?
The InChIKey is IQWKQVYSVPBXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c11-10-9(2-1-5-12-10)13-8-3-6-14-7-4-8/h1-2,5,8,13H,3-4,6-7H2.
What are the key properties of 2-chloro-N-(thian-4-yl)pyridin-3-amine?
2-chloro-N-(thian-4-yl)pyridin-3-amine has a molecular weight of 228.75 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thian-4-yl)pyridin-3-amine is sourced from PubChem (CID 43690107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).