[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H26N2OS — CID 11660635

IUPAC[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1ncsc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C22H26N2OS/c1-14-18(26-13-23-14)10-11-24-12-16(15-8-6-7-9-17(15)24)19(25)20-21(2,3)22(20,4)5/h6-9,12-13,20H,10-11H2,1-5H3
InChIKeyARYJPFLXYGJGJL-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.51
Rot. Bonds5

About [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11660635) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11660635
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCc1ncsc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C22H26N2OS/c1-14-18(26-13-23-14)10-11-24-12-16(15-8-6-7-9-17(15)24)19(25)20-21(2,3)22(20,4)5/h6-9,12-13,20H,10-11H2,1-5H3
InChIKeyARYJPFLXYGJGJL-UHFFFAOYSA-N
XLogP5.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11660635) is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is Cc1ncsc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21.
What is the InChIKey of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is ARYJPFLXYGJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-14-18(26-13-23-14)10-11-24-12-16(15-8-6-7-9-17(15)24)19(25)20-21(2,3)22(20,4)5/h6-9,12-13,20H,10-11H2,1-5H3.
What are the key properties of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 366.53 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11660635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).