N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide

C20H25N3O2S — CID 126779286

IUPACN-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CN2CCC3(CCOC3)C2)cs1
InChIInChI=1S/C20H25N3O2S/c1-15-4-2-3-5-17(15)22-18(24)10-19-21-16(12-26-19)11-23-8-6-20(13-23)7-9-25-14-20/h2-5,12H,6-11,13-14H2,1H3,(H,22,24)
InChIKeyFRGLGXWVGMHQRU-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.25
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide

N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 126779286) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID126779286
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CN2CCC3(CCOC3)C2)cs1
InChIInChI=1S/C20H25N3O2S/c1-15-4-2-3-5-17(15)22-18(24)10-19-21-16(12-26-19)11-23-8-6-20(13-23)7-9-25-14-20/h2-5,12H,6-11,13-14H2,1H3,(H,22,24)
InChIKeyFRGLGXWVGMHQRU-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 126779286) is N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide is Cc1ccccc1NC(=O)Cc1nc(CN2CCC3(CCOC3)C2)cs1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FRGLGXWVGMHQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-4-2-3-5-17(15)22-18(24)10-19-21-16(12-26-19)11-23-8-6-20(13-23)7-9-25-14-20/h2-5,12H,6-11,13-14H2,1H3,(H,22,24).
What are the key properties of N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 126779286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).