5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine

C9H8ClN3S — CID 86653054

IUPAC5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccnc(Cl)c1
InChIInChI=1S/C9H8ClN3S/c1-5-8(14-9(11)13-5)6-2-3-12-7(10)4-6/h2-4H,1H3,(H2,11,13)
InChIKeyFWZUBUVFJCMMNB-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.75
Rot. Bonds1

About 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine

5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 86653054) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID86653054
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccnc(Cl)c1
InChIInChI=1S/C9H8ClN3S/c1-5-8(14-9(11)13-5)6-2-3-12-7(10)4-6/h2-4H,1H3,(H2,11,13)
InChIKeyFWZUBUVFJCMMNB-UHFFFAOYSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine (CID 86653054) is 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccnc(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is FWZUBUVFJCMMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-5-8(14-9(11)13-5)6-2-3-12-7(10)4-6/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 225.70 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86653054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).