2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C20H24N2O3S — CID 18556954

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)n2)c1
InChIInChI=1S/C20H24N2O3S/c1-24-15-5-6-18(25-2)16(10-15)17-11-26-20(21-17)22-19(23)9-14-8-12-3-4-13(14)7-12/h5-6,10-14H,3-4,7-9H2,1-2H3,(H,21,22,23)/t12-,13-,14-/m1/s1
InChIKeyNRLMNACXOAVIMB-MGPQQGTHSA-N
MW372.49 g/mol
LogP4.59
Rot. Bonds6

About 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 18556954) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID18556954
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)n2)c1
InChIInChI=1S/C20H24N2O3S/c1-24-15-5-6-18(25-2)16(10-15)17-11-26-20(21-17)22-19(23)9-14-8-12-3-4-13(14)7-12/h5-6,10-14H,3-4,7-9H2,1-2H3,(H,21,22,23)/t12-,13-,14-/m1/s1
InChIKeyNRLMNACXOAVIMB-MGPQQGTHSA-N
XLogP4.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556899
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 17422003
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119679930
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119679935
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751506

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 18556954) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(OC)c(-c2csc(NC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)n2)c1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NRLMNACXOAVIMB-MGPQQGTHSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-15-5-6-18(25-2)16(10-15)17-11-26-20(21-17)22-19(23)9-14-8-12-3-4-13(14)7-12/h5-6,10-14H,3-4,7-9H2,1-2H3,(H,21,22,23)/t12-,13-,14-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18556954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).