2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone

C17H18N2OS — CID 18940973

IUPAC2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1nc2c(s1)Cc1ccccc1-2)N1CCCCC1
InChIInChI=1S/C17H18N2OS/c20-16(19-8-4-1-5-9-19)11-15-18-17-13-7-3-2-6-12(13)10-14(17)21-15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyVIEQJCDFERZKDU-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.27
Rot. Bonds2

About 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone

2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone (PubChem CID 18940973) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone
PubChem CID18940973
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1nc2c(s1)Cc1ccccc1-2)N1CCCCC1
InChIInChI=1S/C17H18N2OS/c20-16(19-8-4-1-5-9-19)11-15-18-17-13-7-3-2-6-12(13)10-14(17)21-15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyVIEQJCDFERZKDU-UHFFFAOYSA-N
XLogP3.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone (CID 18940973) is 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone is O=C(Cc1nc2c(s1)Cc1ccccc1-2)N1CCCCC1.
What is the InChIKey of 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone?
The InChIKey is VIEQJCDFERZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-16(19-8-4-1-5-9-19)11-15-18-17-13-7-3-2-6-12(13)10-14(17)21-15/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone?
2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone has a molecular weight of 298.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 18940973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).