5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine

C9H8ClN3S — CID 164647695

IUPAC5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
SMILESClc1cncc(NCc2nccs2)c1
InChIInChI=1S/C9H8ClN3S/c10-7-3-8(5-11-4-7)13-6-9-12-1-2-14-9/h1-5,13H,6H2
InChIKeyGECSUKWWDQCKPN-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine

5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine (PubChem CID 164647695) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
PubChem CID164647695
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
SMILESClc1cncc(NCc2nccs2)c1
InChIInChI=1S/C9H8ClN3S/c10-7-3-8(5-11-4-7)13-6-9-12-1-2-14-9/h1-5,13H,6H2
InChIKeyGECSUKWWDQCKPN-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine (CID 164647695) is 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine is Clc1cncc(NCc2nccs2)c1.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine?
The InChIKey is GECSUKWWDQCKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-3-8(5-11-4-7)13-6-9-12-1-2-14-9/h1-5,13H,6H2.
What are the key properties of 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine?
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine has a molecular weight of 225.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 164647695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).