2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

C20H24N2OS — CID 18556899

IUPAC2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1C
InChIInChI=1S/C20H24N2OS/c1-12-3-5-16(7-13(12)2)18-11-24-20(21-18)22-19(23)10-17-9-14-4-6-15(17)8-14/h3,5,7,11,14-15,17H,4,6,8-10H2,1-2H3,(H,21,22,23)/t14-,15-,17+/m1/s1
InChIKeyDOUNUXPANUCJHW-INMHGKMJSA-N
MW340.49 g/mol
LogP5.19
Rot. Bonds4

About 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 18556899) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID18556899
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1C
InChIInChI=1S/C20H24N2OS/c1-12-3-5-16(7-13(12)2)18-11-24-20(21-18)22-19(23)10-17-9-14-4-6-15(17)8-14/h3,5,7,11,14-15,17H,4,6,8-10H2,1-2H3,(H,21,22,23)/t14-,15-,17+/m1/s1
InChIKeyDOUNUXPANUCJHW-INMHGKMJSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
4-[2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 98785729
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556954
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119677139
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11918014
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98596396
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
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CID 733842

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 18556899) is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1C.
What is the InChIKey of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DOUNUXPANUCJHW-INMHGKMJSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-12-3-5-16(7-13(12)2)18-11-24-20(21-18)22-19(23)10-17-9-14-4-6-15(17)8-14/h3,5,7,11,14-15,17H,4,6,8-10H2,1-2H3,(H,21,22,23)/t14-,15-,17+/m1/s1.
What are the key properties of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 340.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18556899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).