(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C18H20N6OS — CID 97282641

IUPAC(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H20N6OS/c1-13-16(7-19-11-21-13)18(25)24-5-2-3-14(8-24)17-20-4-6-23(17)9-15-10-26-12-22-15/h4,6-7,10-12,14H,2-3,5,8-9H2,1H3/t14-/m1/s1
InChIKeyXIIMGNMNUREHFC-CQSZACIVSA-N
MW368.47 g/mol
LogP2.51
Rot. Bonds4

About (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97282641) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID97282641
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H20N6OS/c1-13-16(7-19-11-21-13)18(25)24-5-2-3-14(8-24)17-20-4-6-23(17)9-15-10-26-12-22-15/h4,6-7,10-12,14H,2-3,5,8-9H2,1H3/t14-/m1/s1
InChIKeyXIIMGNMNUREHFC-CQSZACIVSA-N
XLogP2.51
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863675
(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72877462
(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281812
(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283849
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
(2-ethylpyrazol-3-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283841
(2-ethylpyrazol-3-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72924941
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
(2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72918394

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97282641) is (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ncncc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is XIIMGNMNUREHFC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-16(7-19-11-21-13)18(25)24-5-2-3-14(8-24)17-20-4-6-23(17)9-15-10-26-12-22-15/h4,6-7,10-12,14H,2-3,5,8-9H2,1H3/t14-/m1/s1.
What are the key properties of (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97282641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).