cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone

C20H27N5OS — CID 95843254

About cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone

cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone (PubChem CID 95843254) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
• PubChem CID: 95843254
• Molecular Formula: C20H27N5OS
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.19
• IUPAC Name: cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
• SMILES: O=C(C1CCCCC1)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1
• InChI: InChI=1S/C20H27N5OS/c26-19(16-6-2-1-3-7-16)25-9-4-5-15(13-25)11-17-12-18(23-14-22-17)24-20-21-8-10-27-20/h8,10,12,14-16H,1-7,9,11,13H2,(H,21,22,23,24)/t15-/m0/s1
• InChIKey: FENUMOPMKGWCEP-HNNXBMFYSA-N
• XLogP: 4.04
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone (CID 95843254) is cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1.

What is the InChIKey of cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?

The InChIKey is FENUMOPMKGWCEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5OS/c26-19(16-6-2-1-3-7-16)25-9-4-5-15(13-25)11-17-12-18(23-14-22-17)24-20-21-8-10-27-20/h8,10,12,14-16H,1-7,9,11,13H2,(H,21,22,23,24)/t15-/m0/s1.

What are the key properties of cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?

cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 385.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95843254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).