(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine

C12H19N3S — CID 63918102

IUPAC(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(N2CCCCC2)nc1C1CC1
InChIInChI=1S/C12H19N3S/c13-8-10-11(9-4-5-9)14-12(16-10)15-6-2-1-3-7-15/h9H,1-8,13H2
InChIKeyNPRGKDWKWLOTRQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.47
Rot. Bonds3

About (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine

(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 63918102) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID63918102
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(N2CCCCC2)nc1C1CC1
InChIInChI=1S/C12H19N3S/c13-8-10-11(9-4-5-9)14-12(16-10)15-6-2-1-3-7-15/h9H,1-8,13H2
InChIKeyNPRGKDWKWLOTRQ-UHFFFAOYSA-N
XLogP2.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine (CID 63918102) is (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine is NCc1sc(N2CCCCC2)nc1C1CC1.
What is the InChIKey of (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is NPRGKDWKWLOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-8-10-11(9-4-5-9)14-12(16-10)15-6-2-1-3-7-15/h9H,1-8,13H2.
What are the key properties of (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 63918102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).