N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine

C15H28N4S — CID 82163081

IUPACN-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine
SMILESCC(CN(C)C1CCN(C)CC1)c1nc(CCN)cs1
InChIInChI=1S/C15H28N4S/c1-12(15-17-13(4-7-16)11-20-15)10-19(3)14-5-8-18(2)9-6-14/h11-12,14H,4-10,16H2,1-3H3
InChIKeyHFLNJATVRRPNQR-UHFFFAOYSA-N
MW296.48 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine

N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 82163081) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine
PubChem CID82163081
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine
SMILESCC(CN(C)C1CCN(C)CC1)c1nc(CCN)cs1
InChIInChI=1S/C15H28N4S/c1-12(15-17-13(4-7-16)11-20-15)10-19(3)14-5-8-18(2)9-6-14/h11-12,14H,4-10,16H2,1-3H3
InChIKeyHFLNJATVRRPNQR-UHFFFAOYSA-N
XLogP1.77
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine (CID 82163081) is N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine is CC(CN(C)C1CCN(C)CC1)c1nc(CCN)cs1.
What is the InChIKey of N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is HFLNJATVRRPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-12(15-17-13(4-7-16)11-20-15)10-19(3)14-5-8-18(2)9-6-14/h11-12,14H,4-10,16H2,1-3H3.
What are the key properties of N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine?
N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 296.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 82163081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).