N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

C13H23N3S — CID 55112159

IUPACN-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCC1CCN(c2ncc(CNC)s2)CC1
InChIInChI=1S/C13H23N3S/c1-3-4-11-5-7-16(8-6-11)13-15-10-12(17-13)9-14-2/h10-11,14H,3-9H2,1-2H3
InChIKeyVPYUQFJSEVBXGA-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 55112159) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID55112159
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCC1CCN(c2ncc(CNC)s2)CC1
InChIInChI=1S/C13H23N3S/c1-3-4-11-5-7-16(8-6-11)13-15-10-12(17-13)9-14-2/h10-11,14H,3-9H2,1-2H3
InChIKeyVPYUQFJSEVBXGA-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 55112159) is N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCCC1CCN(c2ncc(CNC)s2)CC1.
What is the InChIKey of N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VPYUQFJSEVBXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-4-11-5-7-16(8-6-11)13-15-10-12(17-13)9-14-2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55112159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).