2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide

C14H24N4OS — CID 107163944

IUPAC2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC2(C)CCN(C)CC2)cs1
InChIInChI=1S/C14H24N4OS/c1-10(15)13-17-11(8-20-13)12(19)16-9-14(2)4-6-18(3)7-5-14/h8,10H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeyGJFALRVIHOODKT-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.62
Rot. Bonds4

About 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 107163944) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID107163944
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC2(C)CCN(C)CC2)cs1
InChIInChI=1S/C14H24N4OS/c1-10(15)13-17-11(8-20-13)12(19)16-9-14(2)4-6-18(3)7-5-14/h8,10H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeyGJFALRVIHOODKT-UHFFFAOYSA-N
XLogP1.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 107163944) is 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NCC2(C)CCN(C)CC2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GJFALRVIHOODKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(15)13-17-11(8-20-13)12(19)16-9-14(2)4-6-18(3)7-5-14/h8,10H,4-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107163944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).