3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one

C20H24N2OS — CID 18270362

IUPAC3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)CCC2CCCC2)cs1
InChIInChI=1S/C20H24N2OS/c1-14-21-18(13-24-14)16-7-8-19-17(12-16)10-11-22(19)20(23)9-6-15-4-2-3-5-15/h7-8,12-13,15H,2-6,9-11H2,1H3
InChIKeyJCFLNSRJJQTTBL-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.98
Rot. Bonds4

About 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one

3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 18270362) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID18270362
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)CCC2CCCC2)cs1
InChIInChI=1S/C20H24N2OS/c1-14-21-18(13-24-14)16-7-8-19-17(12-16)10-11-22(19)20(23)9-6-15-4-2-3-5-15/h7-8,12-13,15H,2-6,9-11H2,1H3
InChIKeyJCFLNSRJJQTTBL-UHFFFAOYSA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one (CID 18270362) is 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one is Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCC2CCCC2)cs1.
What is the InChIKey of 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is JCFLNSRJJQTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14-21-18(13-24-14)16-7-8-19-17(12-16)10-11-22(19)20(23)9-6-15-4-2-3-5-15/h7-8,12-13,15H,2-6,9-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one?
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 340.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 18270362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).