[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone

C20H25N5O3S — CID 92636049

IUPAC[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C2CCN(C(=O)c3scnc3C)CC2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C20H25N5O3S/c1-13-16(19(26)25-7-9-28-10-8-25)11-21-18(23-13)15-3-5-24(6-4-15)20(27)17-14(2)22-12-29-17/h11-12,15H,3-10H2,1-2H3
InChIKeyWPYRREQYNKVEOS-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.04
Rot. Bonds3

About [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone

[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 92636049) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID92636049
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C2CCN(C(=O)c3scnc3C)CC2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C20H25N5O3S/c1-13-16(19(26)25-7-9-28-10-8-25)11-21-18(23-13)15-3-5-24(6-4-15)20(27)17-14(2)22-12-29-17/h11-12,15H,3-10H2,1-2H3
InChIKeyWPYRREQYNKVEOS-UHFFFAOYSA-N
XLogP2.04
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92636040
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
N-[4-[[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 92640356
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 56878787
(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 127244608
2-[4-(dimethylamino)phenyl]-1-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110088765
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56818176
1-[4-methyl-2-(oxan-4-yl)pyrimidin-5-yl]ethanone
CID 65334515
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74235155

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 92636049) is [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone is Cc1nc(C2CCN(C(=O)c3scnc3C)CC2)ncc1C(=O)N1CCOCC1.
What is the InChIKey of [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is WPYRREQYNKVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-13-16(19(26)25-7-9-28-10-8-25)11-21-18(23-13)15-3-5-24(6-4-15)20(27)17-14(2)22-12-29-17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone?
[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 415.52 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92636049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).