(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C16H22N4OS — CID 90493668

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(Cn3ccnc3C)CC2)s1
InChIInChI=1S/C16H22N4OS/c1-11-15(22-13(3)18-11)16(21)19-7-4-14(5-8-19)10-20-9-6-17-12(20)2/h6,9,14H,4-5,7-8,10H2,1-3H3
InChIKeyPYZXTNIGEZJIOJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.82
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90493668) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90493668
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(Cn3ccnc3C)CC2)s1
InChIInChI=1S/C16H22N4OS/c1-11-15(22-13(3)18-11)16(21)19-7-4-14(5-8-19)10-20-9-6-17-12(20)2/h6,9,14H,4-5,7-8,10H2,1-3H3
InChIKeyPYZXTNIGEZJIOJ-UHFFFAOYSA-N
XLogP2.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887558
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872700
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 91797183
2-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72837835
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90494621
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90493668) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(Cn3ccnc3C)CC2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is PYZXTNIGEZJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-15(22-13(3)18-11)16(21)19-7-4-14(5-8-19)10-20-9-6-17-12(20)2/h6,9,14H,4-5,7-8,10H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 318.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90493668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).