5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine

C14H25N3S — CID 116968277

IUPAC5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(C2CCN(C)CC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(15)4-3-5-14-16-13(10-18-14)12-6-8-17(2)9-7-12/h10-12H,3-9,15H2,1-2H3
InChIKeyRBIOWYJHHWWIOD-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.62
Rot. Bonds5

About 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine

5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine (PubChem CID 116968277) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
PubChem CID116968277
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine
SMILESCC(N)CCCc1nc(C2CCN(C)CC2)cs1
InChIInChI=1S/C14H25N3S/c1-11(15)4-3-5-14-16-13(10-18-14)12-6-8-17(2)9-7-12/h10-12H,3-9,15H2,1-2H3
InChIKeyRBIOWYJHHWWIOD-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine?
The IUPAC name of 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine (CID 116968277) is 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine.
What is the SMILES notation for 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine?
The canonical SMILES for 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine is CC(N)CCCc1nc(C2CCN(C)CC2)cs1.
What is the InChIKey of 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine?
The InChIKey is RBIOWYJHHWWIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(15)4-3-5-14-16-13(10-18-14)12-6-8-17(2)9-7-12/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine?
5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pentan-2-amine is sourced from PubChem (CID 116968277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).