cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C25H31N3O2S — CID 23732060

IUPACcyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C25H31N3O2S/c1-17-15-20-9-5-6-10-22(20)28(17)25(30)21-16-31-23(26-21)18-11-13-27(14-12-18)24(29)19-7-3-2-4-8-19/h5-6,9-10,16-19H,2-4,7-8,11-15H2,1H3
InChIKeyXRUJFCVKWIQEHW-UHFFFAOYSA-N
MW437.61 g/mol
LogP5.02
Rot. Bonds3

About cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 23732060) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID23732060
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC Namecyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C25H31N3O2S/c1-17-15-20-9-5-6-10-22(20)28(17)25(30)21-16-31-23(26-21)18-11-13-27(14-12-18)24(29)19-7-3-2-4-8-19/h5-6,9-10,16-19H,2-4,7-8,11-15H2,1H3
InChIKeyXRUJFCVKWIQEHW-UHFFFAOYSA-N
XLogP5.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 23732060) is cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is CC1Cc2ccccc2N1C(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is XRUJFCVKWIQEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-17-15-20-9-5-6-10-22(20)28(17)25(30)21-16-31-23(26-21)18-11-13-27(14-12-18)24(29)19-7-3-2-4-8-19/h5-6,9-10,16-19H,2-4,7-8,11-15H2,1H3.
What are the key properties of cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 437.61 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 23732060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).