3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride

C9H9Cl2N3S — CID 22019060

IUPAC3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride
SMILESCl.Nc1ncccc1-c1ncc(CCl)s1
InChIInChI=1S/C9H8ClN3S.ClH/c10-4-6-5-13-9(14-6)7-2-1-3-12-8(7)11;/h1-3,5H,4H2,(H2,11,12);1H
InChIKeyATQIGZMQUIXPLX-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.95
Rot. Bonds2

About 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride

3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride (PubChem CID 22019060) has the molecular formula C9H9Cl2N3S and a molecular weight of 262.16 g/mol. Its IUPAC name is 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride
PubChem CID22019060
Molecular FormulaC9H9Cl2N3S
Molecular Weight262.16 g/mol
Exact Mass260.99
IUPAC Name3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride
SMILESCl.Nc1ncccc1-c1ncc(CCl)s1
InChIInChI=1S/C9H8ClN3S.ClH/c10-4-6-5-13-9(14-6)7-2-1-3-12-8(7)11;/h1-3,5H,4H2,(H2,11,12);1H
InChIKeyATQIGZMQUIXPLX-UHFFFAOYSA-N
XLogP2.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride (CID 22019060) is 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride is Cl.Nc1ncccc1-c1ncc(CCl)s1.
What is the InChIKey of 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride?
The InChIKey is ATQIGZMQUIXPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S.ClH/c10-4-6-5-13-9(14-6)7-2-1-3-12-8(7)11;/h1-3,5H,4H2,(H2,11,12);1H.
What are the key properties of 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride?
3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride has a molecular weight of 262.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(chloromethyl)-1,3-thiazol-2-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 22019060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).