2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C22H28N2OS — CID 167976310

IUPAC2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCc1nc(-c2ccc(CC(=O)NC3CC4CCC3(C)C4(C)C)cc2)cs1
InChIInChI=1S/C22H28N2OS/c1-14-23-18(13-26-14)16-7-5-15(6-8-16)11-20(25)24-19-12-17-9-10-22(19,4)21(17,2)3/h5-8,13,17,19H,9-12H2,1-4H3,(H,24,25)
InChIKeyXGGRYOVLKSXWNW-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.99
Rot. Bonds4

About 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 167976310) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID167976310
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCc1nc(-c2ccc(CC(=O)NC3CC4CCC3(C)C4(C)C)cc2)cs1
InChIInChI=1S/C22H28N2OS/c1-14-23-18(13-26-14)16-7-5-15(6-8-16)11-20(25)24-19-12-17-9-10-22(19,4)21(17,2)3/h5-8,13,17,19H,9-12H2,1-4H3,(H,24,25)
InChIKeyXGGRYOVLKSXWNW-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 24527221
N-(2-cyclopentyl-2-hydroxyethyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111426293
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
ethyl 4-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butanoate
CID 60660753
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
CID 120607988
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 25376882
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
[2-oxo-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24526325
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111483702
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 167976310) is 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is Cc1nc(-c2ccc(CC(=O)NC3CC4CCC3(C)C4(C)C)cc2)cs1.
What is the InChIKey of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is XGGRYOVLKSXWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-14-23-18(13-26-14)16-7-5-15(6-8-16)11-20(25)24-19-12-17-9-10-22(19,4)21(17,2)3/h5-8,13,17,19H,9-12H2,1-4H3,(H,24,25).
What are the key properties of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 368.55 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 167976310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).