[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

C17H24N4OS — CID 132971390

IUPAC[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cs1
InChIInChI=1S/C17H24N4OS/c1-12(2)9-16-20-14(11-23-16)17(22)21-7-3-13(4-8-21)10-15-18-5-6-19-15/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyUIEUXBTZHOKRSG-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.16
Rot. Bonds5

About [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone

[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (PubChem CID 132971390) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
PubChem CID132971390
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
SMILESCC(C)Cc1nc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cs1
InChIInChI=1S/C17H24N4OS/c1-12(2)9-16-20-14(11-23-16)17(22)21-7-3-13(4-8-21)10-15-18-5-6-19-15/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyUIEUXBTZHOKRSG-UHFFFAOYSA-N
XLogP3.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153352
[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 136514652
1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355020
potassium 1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 177042227
5-methyl-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117781
(2R)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371872
(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
(3S,4S)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950781
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone (CID 132971390) is [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is CC(C)Cc1nc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cs1.
What is the InChIKey of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is UIEUXBTZHOKRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)9-16-20-14(11-23-16)17(22)21-7-3-13(4-8-21)10-15-18-5-6-19-15/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone?
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 332.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 132971390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).