[5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C25H27N3O2S — CID 164620462

IUPAC[5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CNC2CCC(O)CC2)s1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C25H27N3O2S/c29-19-11-9-18(10-12-19)26-15-20-16-27-24(31-20)25(30)28-14-13-22-21(7-4-8-23(22)28)17-5-2-1-3-6-17/h1-8,16,18-19,26,29H,9-15H2
InChIKeySWJCDQLTYNTOMY-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.41
Rot. Bonds5

About [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

[5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 164620462) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID164620462
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name[5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ncc(CNC2CCC(O)CC2)s1)N1CCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C25H27N3O2S/c29-19-11-9-18(10-12-19)26-15-20-16-27-24(31-20)25(30)28-14-13-22-21(7-4-8-23(22)28)17-5-2-1-3-6-17/h1-8,16,18-19,26,29H,9-15H2
InChIKeySWJCDQLTYNTOMY-UHFFFAOYSA-N
XLogP4.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 164620462) is [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is O=C(c1ncc(CNC2CCC(O)CC2)s1)N1CCc2c(-c3ccccc3)cccc21.
What is the InChIKey of [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is SWJCDQLTYNTOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-19-11-9-18(10-12-19)26-15-20-16-27-24(31-20)25(30)28-14-13-22-21(7-4-8-23(22)28)17-5-2-1-3-6-17/h1-8,16,18-19,26,29H,9-15H2.
What are the key properties of [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
[5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 433.58 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-hydroxycyclohexyl)amino]methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 164620462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).