N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C15H19N5O2S — CID 56802401

IUPACN-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCC(n3ccnc3C)C2)cs1
InChIInChI=1S/C15H19N5O2S/c1-10-16-5-7-20(10)12-4-3-6-19(8-12)14(22)13-9-23-15(18-13)17-11(2)21/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,17,18,21)
InChIKeyLBZZIMCRWVDWRZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.08
Rot. Bonds3

About N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56802401) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56802401
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCC(n3ccnc3C)C2)cs1
InChIInChI=1S/C15H19N5O2S/c1-10-16-5-7-20(10)12-4-3-6-19(8-12)14(22)13-9-23-15(18-13)17-11(2)21/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,17,18,21)
InChIKeyLBZZIMCRWVDWRZ-UHFFFAOYSA-N
XLogP2.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Piperidin-1-yl-acetylamino)-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388590
N-[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72143074
N-methyl-N-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53552959
(3-Imidazol-1-ylpiperidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53587929
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 53599644
[4-[(1-Propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 53608926
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612988
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 53617458
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53617690
N-[4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 53621075
N,N-dimethyl-2-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}butanamide
CID 70712040
1-[3-(methylthio)propanoyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70746515

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 56802401) is N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCCC(n3ccnc3C)C2)cs1.
What is the InChIKey of N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LBZZIMCRWVDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-16-5-7-20(10)12-4-3-6-19(8-12)14(22)13-9-23-15(18-13)17-11(2)21/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56802401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).