(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine

C9H15N3S — CID 82670559

IUPAC(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
SMILESNCc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H15N3S/c10-5-8-6-13-9(12-8)7-1-3-11-4-2-7/h6-7,11H,1-5,10H2
InChIKeyPFXYFYHMYKIATR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.07
Rot. Bonds2

About (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine

(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 82670559) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
PubChem CID82670559
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
SMILESNCc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H15N3S/c10-5-8-6-13-9(12-8)7-1-3-11-4-2-7/h6-7,11H,1-5,10H2
InChIKeyPFXYFYHMYKIATR-UHFFFAOYSA-N
XLogP1.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine (CID 82670559) is (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine is NCc1csc(C2CCNCC2)n1.
What is the InChIKey of (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is PFXYFYHMYKIATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-5-8-6-13-9(12-8)7-1-3-11-4-2-7/h6-7,11H,1-5,10H2.
What are the key properties of (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine?
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 82670559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).