[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

C17H22N4OS — CID 47619089

IUPAC[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1nc(CNC2CCN(C(=O)c3ccncc3)CC2)cs1
InChIInChI=1S/C17H22N4OS/c1-2-16-20-15(12-23-16)11-19-14-5-9-21(10-6-14)17(22)13-3-7-18-8-4-13/h3-4,7-8,12,14,19H,2,5-6,9-11H2,1H3
InChIKeyKIKAADSUBMHVEE-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.49
Rot. Bonds5

About [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 47619089) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID47619089
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1nc(CNC2CCN(C(=O)c3ccncc3)CC2)cs1
InChIInChI=1S/C17H22N4OS/c1-2-16-20-15(12-23-16)11-19-14-5-9-21(10-6-14)17(22)13-3-7-18-8-4-13/h3-4,7-8,12,14,19H,2,5-6,9-11H2,1H3
InChIKeyKIKAADSUBMHVEE-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[4-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131933582
[4-[(2-amino-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 131891386
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 118757978
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042984
[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91660684
ethyl (3R)-3-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrrolidine-1-carboxylate
CID 125448097
ethyl (3R)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438149
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]prop-2-enamide
CID 166418745
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (CID 47619089) is [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is CCc1nc(CNC2CCN(C(=O)c3ccncc3)CC2)cs1.
What is the InChIKey of [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is KIKAADSUBMHVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-16-20-15(12-23-16)11-19-14-5-9-21(10-6-14)17(22)13-3-7-18-8-4-13/h3-4,7-8,12,14,19H,2,5-6,9-11H2,1H3.
What are the key properties of [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 330.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 47619089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).