5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H23N3S — CID 63296522

IUPAC5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCCCC1CNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H23N3S/c1-16-7-3-2-4-11(16)8-14-13-15-9-12(17-13)10-5-6-10/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyCESXIQHBNKNNGE-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.94
Rot. Bonds3

About 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296522) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296522
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCCCC1CNC1=NCC(C2CC2)S1
InChIInChI=1S/C13H23N3S/c1-16-7-3-2-4-11(16)8-14-13-15-9-12(17-13)10-5-6-10/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyCESXIQHBNKNNGE-UHFFFAOYSA-N
XLogP1.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 63296522) is 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CN1CCCCC1CNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CESXIQHBNKNNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-16-7-3-2-4-11(16)8-14-13-15-9-12(17-13)10-5-6-10/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).