2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

C16H21N5O2S — CID 72837835

IUPAC2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nccn3CC(N)=O)C2)s1
InChIInChI=1S/C16H21N5O2S/c1-10-14(24-11(2)19-10)16(23)21-6-3-4-12(8-21)15-18-5-7-20(15)9-13(17)22/h5,7,12H,3-4,6,8-9H2,1-2H3,(H2,17,22)
InChIKeyAFOUFWKDKWRING-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.46
Rot. Bonds4

About 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72837835) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72837835
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nccn3CC(N)=O)C2)s1
InChIInChI=1S/C16H21N5O2S/c1-10-14(24-11(2)19-10)16(23)21-6-3-4-12(8-21)15-18-5-7-20(15)9-13(17)22/h5,7,12H,3-4,6,8-9H2,1-2H3,(H2,17,22)
InChIKeyAFOUFWKDKWRING-UHFFFAOYSA-N
XLogP1.46
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991
2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97277457
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125022774
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97191440
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 72837835) is 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is Cc1nc(C)c(C(=O)N2CCCC(c3nccn3CC(N)=O)C2)s1.
What is the InChIKey of 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is AFOUFWKDKWRING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-14(24-11(2)19-10)16(23)21-6-3-4-12(8-21)15-18-5-7-20(15)9-13(17)22/h5,7,12H,3-4,6,8-9H2,1-2H3,(H2,17,22).
What are the key properties of 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72837835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).