(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C17H19N5O2S — CID 92564313

IUPAC(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCOc1ncc(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cn1
InChIInChI=1S/C17H19N5O2S/c1-11-20-14(16-22(11)7-8-25-16)12-3-5-21(6-4-12)15(23)13-9-18-17(24-2)19-10-13/h7-10,12H,3-6H2,1-2H3
InChIKeyAABSTWCOLWSFRA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.52
Rot. Bonds3

About (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 92564313) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID92564313
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCOc1ncc(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cn1
InChIInChI=1S/C17H19N5O2S/c1-11-20-14(16-22(11)7-8-25-16)12-3-5-21(6-4-12)15(23)13-9-18-17(24-2)19-10-13/h7-10,12H,3-6H2,1-2H3
InChIKeyAABSTWCOLWSFRA-UHFFFAOYSA-N
XLogP2.52
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564309
[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 92564314
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 46956099
4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 110216631
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
(2-methoxypyrimidin-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119059010
[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 119065113
5-methyl-7-[(3R)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole
CID 124976358
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 126433395
(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 92564845
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 56865135

Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 92564313) is (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is COc1ncc(C(=O)N2CCC(c3nc(C)n4ccsc34)CC2)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is AABSTWCOLWSFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-20-14(16-22(11)7-8-25-16)12-3-5-21(6-4-12)15(23)13-9-18-17(24-2)19-10-13/h7-10,12H,3-6H2,1-2H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).