(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone

C16H17N5OS — CID 124988703

IUPAC(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCC(c2csc3nccn23)CC1
InChIInChI=1S/C16H17N5OS/c1-11-13(8-17-10-19-11)15(22)20-5-2-12(3-6-20)14-9-23-16-18-4-7-21(14)16/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyOOUGWBZDSJSSIY-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.51
Rot. Bonds2

About (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone

(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone (PubChem CID 124988703) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
PubChem CID124988703
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CCC(c2csc3nccn23)CC1
InChIInChI=1S/C16H17N5OS/c1-11-13(8-17-10-19-11)15(22)20-5-2-12(3-6-20)14-9-23-16-18-4-7-21(14)16/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyOOUGWBZDSJSSIY-UHFFFAOYSA-N
XLogP2.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 127245007
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1,3-oxazol-5-yl)methanone
CID 125014377
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110841
[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 72938936
(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97282641
(4-methylpyrimidin-5-yl)-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]methanone
CID 92632719
6-(4-pyridin-4-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70721181
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone (CID 124988703) is (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CCC(c2csc3nccn23)CC1.
What is the InChIKey of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is OOUGWBZDSJSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-13(8-17-10-19-11)15(22)20-5-2-12(3-6-20)14-9-23-16-18-4-7-21(14)16/h4,7-10,12H,2-3,5-6H2,1H3.
What are the key properties of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone?
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 124988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).