1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine

C10H16ClN3S — CID 83157211

IUPAC1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C10H16ClN3S/c1-13(2)8-4-3-5-14(6-8)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyPLDVGQFKUJBAFQ-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine

1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 83157211) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID83157211
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2nc(Cl)cs2)C1
InChIInChI=1S/C10H16ClN3S/c1-13(2)8-4-3-5-14(6-8)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyPLDVGQFKUJBAFQ-UHFFFAOYSA-N
XLogP2.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine (CID 83157211) is 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2nc(Cl)cs2)C1.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is PLDVGQFKUJBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-13(2)8-4-3-5-14(6-8)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine?
1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 245.78 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 83157211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).